
#######################################################
#                                                     #
#                        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:    98      20_A - 117_A       1.99     2.51
  LCS_AVERAGE:     86.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63       7_A - 69_A        0.98     5.00
  LCS_AVERAGE:     51.19

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   86  113     24   43   60   71   81   88   99  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     63   86  113     26   47   62   75   84   95  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     63   86  113     24   43   60   69   81   85   92  102  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     63   86  113     24   46   60   69   81   85   92  106  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     63   86  113     26   47   60   74   81   92  100  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     63   86  113     26   47   60   75   81   92  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     63   96  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     63   96  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     63   96  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     63   96  113     22   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     63   96  113     25   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     63   96  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     63   97  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     63   98  113      7   43   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     63   98  113      5   34   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     63   98  113     15   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     63   98  113     24   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     63   98  113     22   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     63   98  113     26   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     63   98  113     25   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     63   98  113     25   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     63   98  113     24   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     63   98  113     28   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     63   98  113     30   47   64   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     63   98  113     18   42   64   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     63   98  113     23   45   60   70   85   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     63   98  113     30   45   60   74   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     63   98  113     30   46   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     63   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     63   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     63   98  113     17   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     63   98  113     21   47   65   75   85   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     63   98  113     12   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     63   98  113     25   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     63   98  113     30   46   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     63   98  113     28   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     63   98  113     30   47   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     63   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     63   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     63   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     61   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     60   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     51   98  113     30   45   61   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     51   98  113     30   45   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     51   98  113     30   45   64   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     51   98  113     16   45   61   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     51   98  113     29   45   60   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     51   98  113     20   45   60   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     51   98  113     24   45   60   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     51   98  113     23   45   60   73   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     51   98  113     28   45   60   73   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     51   98  113      3   44   60   73   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     51   98  113      4   28   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     51   98  113     23   45   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     51   98  113     23   44   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     51   98  113     23   37   59   67   78   95  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     51   98  113     23   33   53   67   74   83  100  106  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     51   98  113     16   33   56   67   74   87  101  106  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     51   98  113     23   42   60   67   84   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     51   98  113     23   42   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     51   98  113     23   45   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     51   98  113     23   45   60   73   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     51   98  113     23   45   60   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     51   98  113     23   34   57   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     51   98  113     14   33   45   72   83   94  103  108  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     51   98  113     23   44   65   75   84   96  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     51   98  113     20   40   65   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     51   98  113     30   45   60   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     51   98  113     28   45   60   75   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     51   98  113     23   45   60   69   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     51   98  113     23   45   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     51   98  113     23   45   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     51   98  113     20   42   60   67   84   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     51   98  113     20   33   53   67   74   91  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     51   98  113     19   33   56   67   74   91  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     51   98  113     23   38   60   67   77   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     51   98  113     23   45   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     51   98  113     23   42   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     51   98  113     22   39   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     51   98  113     23   42   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     51   98  113     23   42   60   67   87   97  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     51   95  113     23   33   56   67   74   88  103  108  111  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     50   93  113      3   30   37   56   65   76   79   95  107  111  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  79.06  (  51.19   86.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     30     47     65     75     87     97    103    108    111    112    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  26.55  41.59  57.52  66.37  76.99  85.84  91.15  95.58  98.23  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.63   1.03   1.20   1.70   1.89   2.03   2.16   2.28   2.30   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34
GDT RMS_ALL_AT   3.40   5.20   3.69   3.44   2.46   2.39   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     4.182     0    0.041   0.946     4.980   38.690   40.106
LGA    C     8_A      C     8_A     3.289     0    0.019   0.044     3.798   45.000   50.317
LGA    A     9_A      A     9_A     4.942     0    0.041   0.054     5.562   30.238   28.476
LGA    S    10_A      S    10_A     4.906     0    0.044   0.165     4.945   32.857   32.381
LGA    N    11_A      N    11_A     4.005     0    0.023   1.016     4.368   38.690   41.905
LGA    P    12_A      P    12_A     3.594     0    0.053   0.072     3.597   46.667   48.095
LGA    C    13_A      C    13_A     2.337     0    0.063   0.060     2.834   59.048   62.302
LGA    L    14_A      L    14_A     2.572     0    0.011   0.143     3.567   62.857   57.381
LGA    N    15_A      N    15_A     2.428     0    0.031   0.153     2.805   64.762   63.810
LGA    Q    16_A      Q    16_A     2.300     0    0.041   0.999     5.802   64.762   54.497
LGA    G    17_A      G    17_A     2.189     0    0.097   0.097     2.492   64.762   64.762
LGA    T    18_A      T    18_A     1.737     0    0.091   1.149     3.335   75.000   67.551
LGA    C    19_A      C    19_A     1.832     0    0.062   0.073     2.229   70.833   68.810
LGA    I    20_A      I    20_A     1.000     0    0.029   0.525     1.347   83.690   85.952
LGA    D    21_A      D    21_A     1.388     0    0.028   0.725     4.442   83.690   69.167
LGA    D    22_A      D    22_A     1.294     0    0.030   0.858     3.822   77.143   66.726
LGA    V    23_A      V    23_A     2.018     0    0.124   0.151     2.808   64.881   63.741
LGA    A    24_A      A    24_A     1.722     0    0.515   0.503     3.688   65.595   63.905
LGA    G    25_A      G    25_A     1.964     0    0.091   0.091     1.964   75.000   75.000
LGA    Y    26_A      Y    26_A     2.094     0    0.043   0.116     3.805   64.762   57.460
LGA    K    27_A      K    27_A     1.540     0    0.096   0.846     6.477   77.143   57.513
LGA    C    28_A      C    28_A     1.003     0    0.049   0.044     1.672   85.952   83.016
LGA    N    29_A      N    29_A     0.564     0    0.020   1.101     2.563   88.214   81.964
LGA    C    30_A      C    30_A     0.748     0    0.086   0.110     1.006   88.214   88.968
LGA    L    31_A      L    31_A     1.555     0    0.096   0.346     2.212   79.286   76.131
LGA    L    32_A      L    32_A     2.025     0    0.017   0.089     3.199   64.881   61.071
LGA    P    33_A      P    33_A     1.564     0    0.163   0.203     2.146   77.143   75.374
LGA    Y    34_A      Y    34_A     0.545     0    0.040   0.074     1.744   95.238   83.175
LGA    T    35_A      T    35_A     0.731     0    0.050   0.086     0.973   90.476   90.476
LGA    G    36_A      G    36_A     1.344     0    0.016   0.016     1.711   77.143   77.143
LGA    A    37_A      A    37_A     1.994     0    0.057   0.054     2.517   72.857   69.714
LGA    T    38_A      T    38_A     1.942     0    0.036   0.079     2.801   72.857   68.299
LGA    C    39_A      C    39_A     1.244     0    0.023   0.053     1.477   81.429   81.429
LGA    E    40_A      E    40_A     1.917     0    0.062   0.278     2.538   72.857   68.413
LGA    V    41_A      V    41_A     1.137     0    0.081   0.091     1.682   85.952   82.789
LGA    V    42_A      V    42_A     0.475     0    0.029   1.074     2.964  100.000   88.639
LGA    L    43_A      L    43_A     1.049     0    0.079   0.079     1.329   83.690   82.560
LGA    A    44_A      A    44_A     1.409     0    0.028   0.037     1.667   77.143   78.000
LGA    P    45_A      P    45_A     1.749     0    0.027   0.089     2.070   70.833   71.701
LGA    C    46_A      C    46_A     2.196     0    0.064   0.059     2.570   64.881   64.841
LGA    A    47_A      A    47_A     1.683     0    0.625   0.578     3.106   67.143   65.143
LGA    P    48_A      P    48_A     3.117     0    0.688   0.706     4.082   55.833   53.605
LGA    S    49_A      S    49_A     2.661     0    0.212   0.568     4.278   59.048   52.778
LGA    P    50_A      P    50_A     2.380     0    0.056   0.062     2.433   64.762   64.762
LGA    C    51_A      C    51_A     2.456     0    0.118   0.148     3.073   59.167   61.032
LGA    R    52_A      R    52_A     2.243     0    0.022   1.159     4.226   64.762   62.987
LGA    N    53_A      N    53_A     2.169     0    0.033   0.179     2.218   64.762   66.786
LGA    G    54_A      G    54_A     2.348     0    0.039   0.039     2.348   64.762   64.762
LGA    G    55_A      G    55_A     2.019     0    0.053   0.053     2.200   64.762   64.762
LGA    E    56_A      E    56_A     2.224     0    0.014   1.113     6.404   66.786   48.889
LGA    C    57_A      C    57_A     2.174     0    0.041   0.049     2.250   64.762   64.762
LGA    R    58_A      R    58_A     2.015     0    0.065   1.248     5.905   68.810   57.965
LGA    Q    59_A      Q    59_A     1.716     0    0.017   0.655     3.524   72.857   62.910
LGA    S    60_A      S    60_A     2.394     0    0.020   0.113     2.542   64.762   63.492
LGA    E    61_A      E    61_A     2.727     0    0.027   0.776     4.423   57.143   52.540
LGA    D    62_A      D    62_A     2.357     0    0.038   0.307     2.979   62.857   61.905
LGA    Y    63_A      Y    63_A     2.040     0    0.054   0.190     2.402   68.810   66.786
LGA    E    64_A      E    64_A     2.059     0    0.018   0.940     4.357   64.762   61.746
LGA    S    65_A      S    65_A     2.397     0    0.066   0.106     2.900   64.762   62.222
LGA    F    66_A      F    66_A     2.076     0    0.034   0.092     2.186   68.810   66.234
LGA    S    67_A      S    67_A     1.900     0    0.066   0.090     2.189   70.833   71.508
LGA    C    68_A      C    68_A     1.693     0    0.047   0.057     1.947   75.000   74.286
LGA    V    69_A      V    69_A     1.677     0    0.013   0.029     1.777   72.857   72.857
LGA    C    70_A      C    70_A     1.635     0    0.049   0.046     1.682   72.857   72.857
LGA    P    71_A      P    71_A     1.817     0    0.008   0.044     1.996   72.857   72.857
LGA    T    72_A      T    72_A     1.551     0    0.020   0.038     1.906   72.857   72.857
LGA    G    73_A      G    73_A     1.184     0    0.037   0.037     1.324   81.429   81.429
LGA    W    74_A      W    74_A     1.569     0    0.058   0.078     2.108   79.286   70.646
LGA    Q    75_A      Q    75_A     1.257     0    0.033   0.283     1.457   81.429   83.439
LGA    G    76_A      G    76_A     1.412     0    0.038   0.038     1.598   79.286   79.286
LGA    Q    77_A      Q    77_A     1.497     0    0.017   0.055     1.683   77.143   79.524
LGA    T    78_A      T    78_A     1.887     0    0.027   0.050     2.073   72.857   69.388
LGA    C    79_A      C    79_A     1.871     0    0.022   0.052     1.989   72.857   72.857
LGA    E    80_A      E    80_A     1.897     0    0.049   0.950     6.307   72.857   54.815
LGA    V    81_A      V    81_A     1.655     0    0.049   0.051     1.708   72.857   74.082
LGA    D    82_A      D    82_A     1.833     0    0.040   0.110     2.140   77.143   70.952
LGA    I    83_A      I    83_A     1.034     0    0.077   0.072     1.340   85.952   88.214
LGA    N    84_A      N    84_A     1.002     0    0.045   0.079     1.609   85.952   82.619
LGA    E    85_A      E    85_A     0.470     0    0.021   0.090     0.774   92.857   93.651
LGA    C    86_A      C    86_A     0.964     0    0.080   0.086     1.112   90.476   87.460
LGA    V    87_A      V    87_A     0.936     0    0.052   0.070     1.186   85.952   84.014
LGA    L    88_A      L    88_A     1.067     0    0.465   0.352     4.621   79.524   61.845
LGA    S    89_A      S    89_A     1.924     0    0.372   0.728     5.165   70.952   61.190
LGA    P    90_A      P    90_A     2.037     0    0.139   0.203     2.431   64.762   64.762
LGA    C    91_A      C    91_A     2.337     0    0.028   0.045     2.863   60.952   63.571
LGA    R    92_A      R    92_A     3.673     0    0.030   1.368     4.890   45.000   45.455
LGA    H    93_A      H    93_A     4.717     0    0.056   0.162     5.364   32.857   30.429
LGA    G    94_A      G    94_A     4.540     0    0.111   0.111     4.540   35.714   35.714
LGA    A    95_A      A    95_A     3.245     0    0.028   0.039     3.684   48.333   50.095
LGA    S    96_A      S    96_A     2.856     0    0.063   0.084     3.020   60.952   58.492
LGA    C    97_A      C    97_A     1.623     0    0.015   0.039     2.000   70.833   72.937
LGA    Q    98_A      Q    98_A     1.504     0    0.016   0.171     2.711   81.548   75.926
LGA    N    99_A      N    99_A     1.651     0    0.064   0.188     2.976   68.810   66.845
LGA    T   100_A      T   100_A     2.551     0    0.011   0.082     2.847   61.071   61.565
LGA    H   101_A      H   101_A     3.689     0    0.024   1.151     7.228   45.000   35.905
LGA    G   102_A      G   102_A     3.233     0    0.113   0.113     3.235   51.786   51.786
LGA    G   103_A      G   103_A     2.289     0    0.057   0.057     2.547   69.048   69.048
LGA    Y   104_A      Y   104_A     0.985     0    0.047   0.100     1.866   83.810   83.056
LGA    R   105_A      R   105_A     0.463     0    0.049   1.430     6.718   95.238   69.134
LGA    C   106_A      C   106_A     1.134     0    0.039   0.078     1.519   83.690   81.508
LGA    H   107_A      H   107_A     1.813     0    0.076   1.112     2.921   68.810   66.476
LGA    C   108_A      C   108_A     2.182     0    0.006   0.068     2.463   66.786   67.460
LGA    Q   109_A      Q   109_A     3.076     0    0.032   0.691     6.105   51.786   43.016
LGA    A   110_A      A   110_A     3.819     0    0.037   0.039     4.472   41.786   40.857
LGA    G   111_A      G   111_A     3.796     0    0.134   0.134     3.796   43.333   43.333
LGA    Y   112_A      Y   112_A     3.401     0    0.039   0.082     6.146   53.810   37.460
LGA    S   113_A      S   113_A     2.365     0    0.028   0.117     2.919   59.048   59.683
LGA    G   114_A      G   114_A     2.577     0    0.036   0.036     2.577   64.881   64.881
LGA    R   115_A      R   115_A     2.195     0    0.013   0.628     4.696   66.786   59.091
LGA    N   116_A      N   116_A     2.463     0    0.015   0.233     3.228   60.952   60.119
LGA    C   117_A      C   117_A     2.874     0    0.028   0.047     3.583   51.905   54.921
LGA    E   118_A      E   118_A     3.975     0    0.059   0.228     4.785   37.381   41.429
LGA    T   119_A      T   119_A     5.403     0    0.098   0.793     5.527   28.810   27.007

# 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):     2.341          2.338                  2.618           67.759   64.905

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    108    2.16    75.885    83.116     4.781

LGA_LOCAL      RMSD:   2.159  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.350  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.341  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.108286 * X  +  -0.235030 * Y  +   0.965937 * Z  +   6.844610
  Y_new =   0.992673 * X  +   0.026843 * Y  +   0.117814 * Z  +  20.675659
  Z_new =  -0.053619 * X  +   0.971617 * Y  +   0.230401 * Z  +  26.729216 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.679451  0.053645  1.337965   [DEG:   96.2255    3.0736   76.6598 ]
ZXZ:  1.692166  1.338307 -0.055129   [DEG:   96.9539   76.6793   -3.1587 ]
 
# END of job
