
#######################################################
#                                                     #
#                        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       2.34     2.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      13_A - 107_A       1.99     2.42
  LONGEST_CONTINUOUS_SEGMENT:    95      14_A - 108_A       2.00     2.42
  LCS_AVERAGE:     83.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64       7_A - 70_A        0.99     4.89
  LCS_AVERAGE:     52.54

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     64   87  113     17   41   61   74   80   88   98  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     64   87  113     29   50   66   75   83   95  103  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     64   87  113     20   41   61   70   80   84   97  105  110  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     64   87  113     25   45   62   74   80   84   97  105  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     64   87  113     29   50   64   74   82   91  103  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     64   87  113     29   50   64   75   83   95  103  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     64   95  113     27   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     64   95  113     16   41   58   75   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     64   95  113      4   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     64   95  113     18   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     64   95  113     28   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     64   95  113     29   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     64   95  113     15   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     64   95  113      2   22   60   68   78   95  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     64   95  113     26   48   67   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     64   95  113     26   47   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     64   95  113     26   47   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     64   95  113     15   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     64   95  113     15   50   68   76   88   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     64   95  113     15   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     64   95  113     25   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     64   95  113     26   45   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     64   95  113     25   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     64   95  113     26   50   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     64   95  113     26   49   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     64   95  113     26   48   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     64   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     64   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     62   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     60   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     53   95  113     22   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     53   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     53   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     53   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     53   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     53   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     53   95  113     26   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     53   95  113     25   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     53   95  113     25   43   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     53   95  113     14   43   61   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     53   95  113     22   43   60   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     53   95  113     23   43   60   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     53   95  113     23   43   60   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     53   95  113     23   43   60   75   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     53   95  113     14   43   60   75   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     53   95  113      4   42   59   75   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     53   95  113     13   29   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     53   95  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     53   95  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     53   95  113     23   43   60   68   81   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     53   95  113     18   33   55   67   74   83  101  106  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     53   95  113     11   33   55   67   75   83  101  106  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     53   95  113     23   43   60   68   81   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     53   95  113     23   43   60   68   87   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     53   95  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     53   95  113     23   43   60   70   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     53   95  113     23   43   60   75   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     53   95  113     22   34   55   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     53   95  113     14   33   43   67   82   94  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     53   95  113     23   41   68   76   84   95  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     53   95  113     26   39   68   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     53   95  113     25   43   60   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     53   95  113     23   43   60   76   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     53   95  113     23   43   60   70   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     53   95  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     53   95  113     23   43   60   68   89   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     53   94  113     23   43   60   68   81   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     53   94  113     22   33   55   67   75   85  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     53   94  113     22   38   55   67   75   88  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     53   94  113     23   43   60   68   77   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     53   94  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     53   94  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     53   94  113     22   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     53   94  113     23   43   60   68   90   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     53   94  113     23   43   60   68   87   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     53   94  113     23   36   55   67   75   93  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     53   93  113     18   32   43   58   70   77   85  102  108  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  78.71  (  52.54   83.60  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     29     50     68     76     90     98    104    108    111    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  25.66  44.25  60.18  67.26  79.65  86.73  92.04  95.58  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    0.32   0.65   1.02   1.27   1.75   1.94   2.06   2.17   2.27   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34
GDT RMS_ALL_AT   6.08   5.12   3.67   3.17   2.45   2.37   2.38   2.35   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34

# 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     4.141     0    0.067   0.926     5.081   38.690   39.524
LGA    C     8_A      C     8_A     3.290     0    0.037   0.063     3.842   46.667   51.429
LGA    A     9_A      A     9_A     4.934     0    0.049   0.060     5.575   31.548   29.524
LGA    S    10_A      S    10_A     4.709     0    0.016   0.703     4.968   34.286   33.333
LGA    N    11_A      N    11_A     3.881     0    0.013   1.018     4.172   41.786   43.452
LGA    P    12_A      P    12_A     3.525     0    0.049   0.082     3.525   46.667   49.116
LGA    C    13_A      C    13_A     2.303     0    0.054   0.054     2.781   60.952   64.921
LGA    L    14_A      L    14_A     2.460     0    0.007   0.154     3.372   64.762   60.060
LGA    N    15_A      N    15_A     2.291     0    0.033   0.138     2.577   64.762   63.810
LGA    Q    16_A      Q    16_A     2.150     0    0.033   1.222     6.450   64.762   54.021
LGA    G    17_A      G    17_A     2.130     0    0.096   0.096     2.378   64.762   64.762
LGA    T    18_A      T    18_A     1.669     0    0.095   1.143     3.340   75.000   68.571
LGA    C    19_A      C    19_A     1.849     0    0.073   0.082     2.220   70.833   68.810
LGA    I    20_A      I    20_A     1.109     0    0.016   0.530     1.382   81.429   84.821
LGA    D    21_A      D    21_A     1.511     0    0.026   0.814     5.037   79.286   64.524
LGA    D    22_A      D    22_A     1.554     0    0.029   0.858     3.747   72.976   64.405
LGA    V    23_A      V    23_A     2.479     0    0.127   0.127     3.389   61.071   58.367
LGA    A    24_A      A    24_A     1.780     0    0.497   0.487     3.582   63.452   63.714
LGA    G    25_A      G    25_A     1.793     0    0.118   0.118     1.793   77.143   77.143
LGA    Y    26_A      Y    26_A     2.008     0    0.049   0.127     3.933   66.786   57.579
LGA    K    27_A      K    27_A     1.428     0    0.097   0.877     6.333   79.286   59.683
LGA    C    28_A      C    28_A     1.083     0    0.046   0.043     1.659   85.952   83.016
LGA    N    29_A      N    29_A     0.637     0    0.021   1.102     2.319   88.214   82.917
LGA    C    30_A      C    30_A     0.737     0    0.085   0.109     0.926   90.476   90.476
LGA    L    31_A      L    31_A     1.314     0    0.089   0.262     1.962   81.429   79.286
LGA    L    32_A      L    32_A     1.729     0    0.023   0.098     2.831   70.833   67.857
LGA    P    33_A      P    33_A     1.337     0    0.120   0.154     1.864   81.548   80.272
LGA    Y    34_A      Y    34_A     0.540     0    0.042   0.067     1.491   92.857   86.746
LGA    T    35_A      T    35_A     0.808     0    0.051   0.085     1.003   88.214   89.184
LGA    G    36_A      G    36_A     1.305     0    0.013   0.013     1.582   77.143   77.143
LGA    A    37_A      A    37_A     1.837     0    0.073   0.070     2.282   72.857   71.238
LGA    T    38_A      T    38_A     1.796     0    0.045   0.090     2.598   72.857   68.299
LGA    C    39_A      C    39_A     1.190     0    0.023   0.056     1.338   81.429   81.429
LGA    E    40_A      E    40_A     1.688     0    0.072   0.259     2.242   79.286   72.116
LGA    V    41_A      V    41_A     1.073     0    0.059   0.065     1.573   85.952   82.789
LGA    V    42_A      V    42_A     0.509     0    0.022   1.083     2.907   95.238   85.918
LGA    L    43_A      L    43_A     0.981     0    0.060   0.057     1.319   85.952   83.690
LGA    A    44_A      A    44_A     1.258     0    0.039   0.045     1.556   79.286   79.714
LGA    P    45_A      P    45_A     1.648     0    0.030   0.065     1.944   75.000   74.082
LGA    C    46_A      C    46_A     1.975     0    0.033   0.036     2.131   70.833   68.810
LGA    A    47_A      A    47_A     1.538     0    0.642   0.609     2.726   71.071   69.810
LGA    P    48_A      P    48_A     3.730     0    0.155   0.295     5.738   45.238   42.245
LGA    S    49_A      S    49_A     2.362     0    0.155   0.143     3.017   64.762   61.032
LGA    P    50_A      P    50_A     2.346     0    0.100   0.112     2.383   64.762   64.762
LGA    C    51_A      C    51_A     2.526     0    0.128   0.159     3.135   57.262   58.492
LGA    R    52_A      R    52_A     2.253     0    0.020   0.639     2.432   64.762   68.528
LGA    N    53_A      N    53_A     2.261     0    0.058   0.142     2.283   64.762   65.774
LGA    G    54_A      G    54_A     2.406     0    0.041   0.041     2.406   64.762   64.762
LGA    G    55_A      G    55_A     2.172     0    0.054   0.054     2.339   64.762   64.762
LGA    E    56_A      E    56_A     2.387     0    0.010   1.126     6.658   64.762   46.561
LGA    C    57_A      C    57_A     2.297     0    0.042   0.046     2.354   64.762   64.762
LGA    R    58_A      R    58_A     2.174     0    0.035   1.267     5.793   64.762   56.234
LGA    Q    59_A      Q    59_A     1.956     0    0.023   1.038     3.712   70.833   68.677
LGA    S    60_A      S    60_A     2.357     0    0.020   0.098     2.460   66.786   67.460
LGA    E    61_A      E    61_A     2.628     0    0.022   0.965     5.789   60.952   48.571
LGA    D    62_A      D    62_A     2.183     0    0.034   0.264     2.634   64.762   63.810
LGA    Y    63_A      Y    63_A     1.919     0    0.061   0.154     2.190   70.833   69.484
LGA    E    64_A      E    64_A     1.933     0    0.023   0.417     2.806   68.810   66.614
LGA    S    65_A      S    65_A     2.340     0    0.058   0.098     2.781   64.762   62.222
LGA    F    66_A      F    66_A     2.220     0    0.024   0.106     2.308   64.762   64.762
LGA    S    67_A      S    67_A     2.091     0    0.055   0.075     2.358   64.762   64.762
LGA    C    68_A      C    68_A     1.972     0    0.035   0.045     2.102   72.857   71.508
LGA    V    69_A      V    69_A     1.938     0    0.010   0.034     2.070   70.833   70.544
LGA    C    70_A      C    70_A     1.830     0    0.041   0.041     1.830   72.857   72.857
LGA    P    71_A      P    71_A     1.858     0    0.006   0.053     1.962   72.857   72.857
LGA    T    72_A      T    72_A     1.578     0    0.017   0.034     1.847   72.857   72.857
LGA    G    73_A      G    73_A     1.372     0    0.028   0.028     1.519   79.286   79.286
LGA    W    74_A      W    74_A     1.674     0    0.054   0.074     2.231   72.857   67.653
LGA    Q    75_A      Q    75_A     1.415     0    0.034   0.189     1.622   75.000   79.577
LGA    G    76_A      G    76_A     1.581     0    0.033   0.033     1.811   75.000   75.000
LGA    Q    77_A      Q    77_A     1.796     0    0.036   0.750     3.641   72.857   68.730
LGA    T    78_A      T    78_A     1.996     0    0.014   0.066     2.110   68.810   67.075
LGA    C    79_A      C    79_A     2.008     0    0.021   0.054     2.114   64.762   64.762
LGA    E    80_A      E    80_A     2.054     0    0.065   0.929     6.213   66.786   51.534
LGA    V    81_A      V    81_A     1.788     0    0.053   0.054     1.840   72.857   72.857
LGA    D    82_A      D    82_A     1.986     0    0.052   0.140     2.599   70.833   66.845
LGA    I    83_A      I    83_A     1.240     0    0.038   0.044     1.537   81.548   82.619
LGA    N    84_A      N    84_A     1.072     0    0.045   0.079     1.731   85.952   82.619
LGA    E    85_A      E    85_A     0.551     0    0.030   0.077     0.895   90.476   91.534
LGA    C    86_A      C    86_A     0.985     0    0.082   0.088     1.173   90.476   87.460
LGA    V    87_A      V    87_A     1.019     0    0.051   0.059     1.282   83.690   82.721
LGA    L    88_A      L    88_A     1.060     0    0.462   0.350     4.417   79.524   62.560
LGA    S    89_A      S    89_A     1.837     0    0.366   0.736     5.143   72.976   62.540
LGA    P    90_A      P    90_A     1.952     0    0.136   0.206     2.292   68.810   67.075
LGA    C    91_A      C    91_A     2.201     0    0.037   0.061     2.644   60.952   63.571
LGA    R    92_A      R    92_A     3.476     0    0.021   1.356     6.432   48.452   40.779
LGA    H    93_A      H    93_A     4.707     0    0.061   0.067     5.445   32.857   29.905
LGA    G    94_A      G    94_A     4.568     0    0.114   0.114     4.568   35.714   35.714
LGA    A    95_A      A    95_A     3.284     0    0.027   0.036     3.707   48.333   50.095
LGA    S    96_A      S    96_A     2.918     0    0.064   0.085     3.101   57.262   56.032
LGA    C    97_A      C    97_A     1.706     0    0.016   0.038     2.082   68.810   71.587
LGA    Q    98_A      Q    98_A     1.649     0    0.011   0.129     2.580   79.286   73.069
LGA    N    99_A      N    99_A     1.781     0    0.064   0.261     3.203   68.810   65.952
LGA    T   100_A      T   100_A     2.559     0    0.029   0.085     2.876   59.048   61.497
LGA    H   101_A      H   101_A     3.652     0    0.036   0.244     6.094   45.000   32.524
LGA    G   102_A      G   102_A     3.194     0    0.107   0.107     3.217   53.571   53.571
LGA    G   103_A      G   103_A     2.230     0    0.038   0.038     2.495   70.952   70.952
LGA    Y   104_A      Y   104_A     0.899     0    0.049   0.104     1.788   88.214   86.786
LGA    R   105_A      R   105_A     0.430     0    0.037   1.209     4.933   90.595   74.416
LGA    C   106_A      C   106_A     1.292     0    0.045   0.090     1.594   79.405   77.222
LGA    H   107_A      H   107_A     2.006     0    0.064   1.128     3.219   64.881   64.952
LGA    C   108_A      C   108_A     2.372     0    0.006   0.070     2.658   60.952   62.222
LGA    Q   109_A      Q   109_A     3.194     0    0.029   0.668     6.001   51.786   43.016
LGA    A   110_A      A   110_A     3.847     0    0.035   0.038     4.436   41.786   40.857
LGA    G   111_A      G   111_A     3.805     0    0.105   0.105     3.805   43.333   43.333
LGA    Y   112_A      Y   112_A     3.417     0    0.038   0.083     6.035   51.905   37.222
LGA    S   113_A      S   113_A     2.362     0    0.023   0.097     2.887   60.952   60.952
LGA    G   114_A      G   114_A     2.362     0    0.029   0.029     2.362   66.786   66.786
LGA    R   115_A      R   115_A     1.977     0    0.010   0.707     4.722   70.833   61.255
LGA    N   116_A      N   116_A     2.386     0    0.021   0.271     3.087   60.952   61.071
LGA    C   117_A      C   117_A     2.860     0    0.028   0.049     3.525   51.905   54.921
LGA    E   118_A      E   118_A     3.833     0    0.045   0.157     4.624   40.476   44.286
LGA    T   119_A      T   119_A     5.125     0    0.136   0.926     5.454   30.238   29.252

# 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):     2.339          2.343                  2.617           67.387   64.757

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    108    2.17    76.770    83.305     4.764

LGA_LOCAL      RMSD:   2.167  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.348  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.339  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.629207 * X  +  -0.507800 * Y  +   0.588420 * Z  +   6.623065
  Y_new =   0.473044 * X  +  -0.850897 * Y  +  -0.228480 * Z  +  19.355679
  Z_new =   0.616707 * X  +   0.134587 * Y  +   0.775602 * Z  +  26.251322 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.496934 -0.664552  0.171815   [DEG:  143.0638  -38.0760    9.8443 ]
ZXZ:  1.200421  0.683127  1.355930   [DEG:   68.7791   39.1403   77.6891 ]
 
# END of job
