
#######################################################
#                                                     #
#                        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       4.09     4.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      43_A - 98_A        1.97     6.35
  LCS_AVERAGE:     44.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      43_A - 88_A        0.98     6.61
  LCS_AVERAGE:     36.27

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     38   46  113     22   33   38   38   40   42   53   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     38   46  113     22   33   38   38   40   42   45   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     38   46  113     22   33   38   38   40   42   45   48   55   86   93  104  109  111  112  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     38   46  113     22   33   38   38   40   42   45   48   53   86   93  104  109  111  112  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     38   46  113     22   33   38   38   40   42   45   56   73   88   97  104  109  111  112  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     38   46  113     22   33   38   38   40   44   54   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     38   46  113     22   33   38   38   40   44   58   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     38   46  113     22   33   38   38   40   42   54   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     38   46  113     22   33   38   38   40   42   45   56   78   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     38   46  113     22   33   38   38   40   42   45   48   52   86   93  104  109  111  112  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     38   46  113     22   33   38   38   40   42   45   56   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     38   46  113     22   33   38   38   40   42   45   56   78   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     38   46  113     22   33   38   38   40   43   54   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     38   46  113     22   33   38   38   40   44   58   72   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     38   46  113     13   33   38   38   40   49   60   73   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     38   46  113     14   33   41   48   53   63   68   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     38   46  113     12   32   39   49   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     38   46  113      4    5    6    7   26   39   46   57   68   75   88   97  102  108  112  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     38   46  113     12   32   38   38   40   47   64   74   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     38   46  113     22   33   38   40   53   58   65   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     38   46  113     22   33   39   47   53   63   68   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     38   46  113     22   33   38   38   48   55   65   73   84   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     38   46  113     22   33   38   38   40   43   45   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     38   46  113     22   33   38   38   40   43   45   68   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     38   46  113     15   33   38   38   40   42   45   48   52   59   93  104  109  111  112  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     38   46  113     10   31   38   38   40   42   45   48   70   88   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     38   46  113     14   32   38   38   40   42   45   48   51   60   79  102  109  111  112  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     38   46  113     14   33   38   38   40   51   61   73   84   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     38   53  113     19   39   47   49   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     38   53  113     12   33   38   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     38   53  113     22   33   38   38   54   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     38   53  113     22   33   38   38   40   49   62   74   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     38   53  113     22   33   38   38   44   58   65   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     38   53  113     18   33   38   38   40   49   62   73   84   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     38   53  113     13   33   38   38   40   59   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     38   53  113     18   33   38   38   53   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     46   56  113     15   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     46   56  113     27   39   47   51   56   63   68   76   84   89   96  105  109  111  112  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     46   56  113     27   39   47   51   56   63   69   76   85   89   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     46   56  113     27   39   47   51   56   63   69   76   85   89   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     46   56  113     27   39   47   51   56   63   69   76   85   89   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     46   56  113     27   39   47   51   56   63   69   76   85   89   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     46   56  113     27   39   47   51   56   63   69   76   85   89   96  105  109  111  112  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     46   56  113     23   39   47   51   56   63   69   76   85   89   96  105  109  111  112  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     46   56  113      5   39   47   51   56   63   69   76   85   89   96  105  109  111  112  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     46   56  113      5   39   47   51   56   62   69   75   85   89   92   98  103  108  112  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     46   56  113      3    6   22   41   54   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     46   56  113      5   23   40   49   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     46   56  113      4   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     46   56  113     27   39   47   51   56   63   69   76   85   89   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     46   56  113     14   36   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     46   56  113     23   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     46   56  113     23   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     46   56  113     27   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     46   56  113     21   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     46   56  113     11   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     46   56  113     12   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     46   56  113     19   38   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     46   56  113      5   35   47   51   56   63   69   76   85   89   96  105  108  111  112  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     46   56  113     11   35   47   51   56   63   69   76   85   89   96  105  108  111  112  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     37   56  113     21   30   35   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     37   56  113     22   30   35   38   55   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     37   56  113     22   30   35   36   55   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     37   56  113     22   30   35   36   40   58   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     37   56  113     22   30   35   36   39   51   65   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     37   56  113     22   30   35   36   39   51   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     37   56  113     22   30   35   36   55   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     37   56  113     22   30   35   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     37   56  113     22   32   46   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     37   56  113     22   39   47   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     37   50  113     27   39   47   49   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     37   41  113     21   30   35   41   50   54   65   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     37   41  113     14   30   35   36   37   43   53   68   79   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     37   41  113     11   26   35   36   37   43   46   68   78   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     37   41  113     14   30   35   36   40   47   60   72   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     37   41  113     21   30   35   41   51   62   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     37   41  113     22   30   35   48   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     37   41  113     22   30   35   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     37   41  113     22   30   35   51   56   63   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     37   41  113     22   30   35   36   55   61   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     37   41  113     22   30   35   36   43   58   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     37   41  113     16   30   35   36   38   51   65   75   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     37   41  113     21   30   35   36   38   51   60   71   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     37   41  113     22   30   35   36   38   51   63   73   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     37   41  113     22   30   35   36   38   51   65   75   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     37   41  113     22   30   35   36   38   46   60   71   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     37   41  113     22   30   35   36   38   51   65   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     37   41  113     22   30   35   36   39   58   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     37   41  113     22   30   35   36   38   51   69   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     37   41  113     22   30   35   36   38   51   65   76   85   92   97  105  109  111  112  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     37   41  113     15   30   35   36   37   43   45   53   80   92   97  105  109  111  112  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  60.35  (  36.27   44.78  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     27     39     47     51     56     63     69     76     85     92     97    105    109    111    112    113    113    113    113    113 
GDT PERCENT_AT  23.89  34.51  41.59  45.13  49.56  55.75  61.06  67.26  75.22  81.42  85.84  92.92  96.46  98.23  99.12 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.49   0.79   1.22   1.40   1.88   2.26   2.58   2.90   3.34   3.49   3.73   3.91   3.97   4.04   4.09   4.09   4.09   4.09   4.09
GDT RMS_ALL_AT   7.22   7.10   6.76   6.62   6.39   5.81   5.82   5.23   5.11   4.11   4.10   4.12   4.10   4.09   4.09   4.09   4.09   4.09   4.09   4.09

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  Y   112_A      Y   112_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     9.879     0    0.057   1.052    10.535    0.119    1.799
LGA    C     8_A      C     8_A    10.733     0    0.016   0.131    12.407    0.000    0.238
LGA    A     9_A      A     9_A    13.849     0    0.114   0.113    15.494    0.000    0.000
LGA    S    10_A      S    10_A    13.593     0    0.108   0.515    13.836    0.000    0.000
LGA    N    11_A      N    11_A    12.606     0    0.025   0.416    15.644    0.000    0.000
LGA    P    12_A      P    12_A    10.086     0    0.075   0.073    10.690    0.714    1.020
LGA    C    13_A      C    13_A     8.553     0    0.032   0.795    10.394    1.429    2.540
LGA    L    14_A      L    14_A     9.638     0    0.036   0.993    11.447    1.667    1.131
LGA    N    15_A      N    15_A    10.584     0    0.042   0.090    11.030    0.000    0.952
LGA    Q    16_A      Q    16_A    12.795     0    0.045   0.697    16.434    0.000    0.000
LGA    G    17_A      G    17_A     9.822     0    0.072   0.072    11.316    0.119    0.119
LGA    T    18_A      T    18_A    10.912     0    0.041   1.123    12.562    0.833    0.476
LGA    C    19_A      C    19_A     8.972     0    0.037   0.664     9.902    1.310    1.429
LGA    I    20_A      I    20_A     8.190     0    0.049   0.699     9.954    9.167    6.607
LGA    D    21_A      D    21_A     7.187     0    0.035   0.755     9.567   13.929    8.333
LGA    D    22_A      D    22_A     3.217     0    0.052   0.121     4.757   43.929   47.500
LGA    V    23_A      V    23_A     1.970     0    0.624   1.010     2.894   65.000   72.109
LGA    A    24_A      A    24_A     6.554     0    0.536   0.555     7.807   23.095   19.905
LGA    G    25_A      G    25_A     4.605     0    0.061   0.061     5.341   32.976   32.976
LGA    Y    26_A      Y    26_A     4.353     0    0.053   0.228     8.099   46.905   23.611
LGA    K    27_A      K    27_A     3.657     0    0.048   1.210     6.230   33.333   35.397
LGA    C    28_A      C    28_A     5.389     0    0.017   0.788     8.455   30.238   25.317
LGA    N    29_A      N    29_A     7.636     0    0.094   1.126     9.733    7.619    5.000
LGA    C    30_A      C    30_A     7.501     0    0.034   0.234     8.993    5.714   11.746
LGA    L    31_A      L    31_A    10.455     0    0.245   1.316    16.908    1.190    0.595
LGA    L    32_A      L    32_A     8.617     0    0.192   0.943    11.061    1.190   14.583
LGA    P    33_A      P    33_A     7.730     0    0.402   0.507    11.320   15.714    9.660
LGA    Y    34_A      Y    34_A     5.341     0    0.106   0.168    10.944   24.286   11.746
LGA    T    35_A      T    35_A     2.380     0    0.046   0.059     3.621   69.524   62.313
LGA    G    36_A      G    36_A     1.473     0    0.069   0.069     1.473   83.690   83.690
LGA    A    37_A      A    37_A     2.631     0    0.042   0.048     4.042   55.476   51.810
LGA    T    38_A      T    38_A     5.110     0    0.169   0.221     6.954   25.714   21.497
LGA    C    39_A      C    39_A     4.303     0    0.039   0.078     6.009   30.952   27.778
LGA    E    40_A      E    40_A     6.163     0    0.125   0.904     6.907   19.524   19.841
LGA    V    41_A      V    41_A     3.577     0    0.048   1.011     4.799   50.238   47.483
LGA    V    42_A      V    42_A     2.761     0    0.111   0.132     5.936   69.286   52.449
LGA    L    43_A      L    43_A     2.222     0    0.091   0.914     6.929   64.881   46.726
LGA    A    44_A      A    44_A     1.658     0    0.195   0.198     2.064   70.833   72.952
LGA    P    45_A      P    45_A     1.715     0    0.049   0.304     2.299   70.833   70.544
LGA    C    46_A      C    46_A     2.086     0    0.093   0.179     2.642   64.881   62.302
LGA    A    47_A      A    47_A     2.878     0    0.090   0.086     3.118   57.143   55.714
LGA    P    48_A      P    48_A     2.448     0    0.667   0.562     3.088   60.952   59.388
LGA    S    49_A      S    49_A     2.482     0    0.140   0.716     4.462   61.071   57.698
LGA    P    50_A      P    50_A     1.181     0    0.077   0.111     1.730   83.810   85.374
LGA    C    51_A      C    51_A     1.046     0    0.055   0.109     1.649   81.429   78.571
LGA    R    52_A      R    52_A     1.045     0    0.045   1.147     4.506   81.429   74.848
LGA    N    53_A      N    53_A     1.170     0    0.033   1.008     2.149   77.143   77.381
LGA    G    54_A      G    54_A     2.530     0    0.104   0.104     2.647   59.048   59.048
LGA    G    55_A      G    55_A     2.398     0    0.070   0.070     2.571   60.952   60.952
LGA    E    56_A      E    56_A     3.052     0    0.099   0.665     4.523   55.357   48.095
LGA    C    57_A      C    57_A     2.213     0    0.033   0.678     3.396   57.262   58.651
LGA    R    58_A      R    58_A     3.107     0    0.100   0.930     6.630   53.571   36.970
LGA    Q    59_A      Q    59_A     3.043     0    0.081   0.333     3.812   48.333   49.259
LGA    S    60_A      S    60_A     2.857     0    0.061   0.695     3.500   57.143   57.222
LGA    E    61_A      E    61_A     3.350     0    0.097   1.161     5.938   61.429   43.704
LGA    D    62_A      D    62_A     2.216     0    0.213   0.895     3.918   68.810   60.357
LGA    Y    63_A      Y    63_A     1.295     0    0.652   0.503     3.906   69.762   63.571
LGA    E    64_A      E    64_A     1.257     0    0.125   1.124     5.396   83.690   61.005
LGA    S    65_A      S    65_A     0.636     0    0.028   0.613     2.377   88.214   84.683
LGA    F    66_A      F    66_A     1.494     0    0.056   0.187     1.780   77.143   84.026
LGA    S    67_A      S    67_A     2.295     0    0.075   0.663     2.850   64.762   64.841
LGA    C    68_A      C    68_A     2.215     0    0.029   0.051     2.621   60.952   66.349
LGA    V    69_A      V    69_A     3.062     0    0.084   0.083     3.682   55.357   51.156
LGA    C    70_A      C    70_A     2.635     0    0.068   0.090     3.276   55.357   58.492
LGA    P    71_A      P    71_A     2.618     0    0.088   0.328     2.815   60.952   61.497
LGA    T    72_A      T    72_A     2.674     0    0.096   1.054     5.174   59.048   53.810
LGA    G    73_A      G    73_A     2.524     0    0.073   0.073     2.539   60.952   60.952
LGA    W    74_A      W    74_A     1.963     0    0.022   1.118     7.324   66.786   55.884
LGA    Q    75_A      Q    75_A     2.191     0    0.025   0.345     4.101   70.833   59.418
LGA    G    76_A      G    76_A     1.854     0    0.063   0.063     2.142   70.833   70.833
LGA    Q    77_A      Q    77_A     1.451     0    0.085   1.268     5.268   79.286   68.942
LGA    T    78_A      T    78_A     0.750     0    0.080   0.178     1.042   90.476   89.184
LGA    C    79_A      C    79_A     1.072     0    0.032   0.046     1.593   88.214   84.524
LGA    E    80_A      E    80_A     0.670     0    0.156   0.711     4.538   83.810   67.566
LGA    V    81_A      V    81_A     1.849     0    0.036   0.070     3.056   72.976   67.347
LGA    D    82_A      D    82_A     2.128     0    0.131   0.436     3.024   66.786   63.929
LGA    I    83_A      I    83_A     2.426     0    0.017   0.129     3.055   64.762   61.964
LGA    N    84_A      N    84_A     2.335     0    0.028   0.423     3.354   62.857   61.964
LGA    E    85_A      E    85_A     2.394     0    0.048   0.225     2.694   64.762   63.915
LGA    C    86_A      C    86_A     2.274     0    0.069   0.667     2.622   60.952   65.000
LGA    V    87_A      V    87_A     2.960     0    0.018   0.081     3.769   57.143   53.129
LGA    L    88_A      L    88_A     2.385     0    0.540   1.147     6.141   65.119   46.905
LGA    S    89_A      S    89_A     0.957     0    0.365   0.683     4.300   83.810   72.857
LGA    P    90_A      P    90_A     1.559     0    0.120   0.124     2.450   72.976   74.150
LGA    C    91_A      C    91_A     2.003     0    0.048   0.096     2.406   66.786   70.238
LGA    R    92_A      R    92_A     3.510     0    0.029   1.438     4.165   48.452   51.905
LGA    H    93_A      H    93_A     4.857     0    0.052   0.287     7.487   32.857   22.524
LGA    G    94_A      G    94_A     4.134     0    0.108   0.108     4.287   45.357   45.357
LGA    A    95_A      A    95_A     2.309     0    0.094   0.099     2.959   64.881   64.857
LGA    S    96_A      S    96_A     1.107     0    0.083   0.609     3.134   85.952   79.206
LGA    C    97_A      C    97_A     0.611     0    0.016   0.256     1.477   85.952   87.460
LGA    Q    98_A      Q    98_A     1.843     0    0.037   0.697     3.074   70.952   65.926
LGA    N    99_A      N    99_A     3.049     0    0.104   0.218     4.198   46.905   45.179
LGA    T   100_A      T   100_A     4.585     0    0.083   1.096     6.308   33.095   32.041
LGA    H   101_A      H   101_A     6.400     0    0.092   1.081     7.267   17.262   17.762
LGA    G   102_A      G   102_A     6.391     0    0.162   0.162     6.391   18.214   18.214
LGA    G   103_A      G   103_A     4.927     0    0.080   0.080     5.325   34.524   34.524
LGA    Y   104_A      Y   104_A     3.200     0    0.043   0.123     3.943   48.333   50.714
LGA    R   105_A      R   105_A     2.394     0    0.050   1.431     6.225   69.048   53.117
LGA    C   106_A      C   106_A     1.297     0    0.093   0.120     1.963   79.286   77.143
LGA    H   107_A      H   107_A     1.189     0    0.076   0.942     6.163   77.143   56.952
LGA    C   108_A      C   108_A     2.612     0    0.042   0.070     3.416   60.952   57.302
LGA    Q   109_A      Q   109_A     3.455     0    0.042   1.258     4.853   42.143   51.005
LGA    A   110_A      A   110_A     5.136     0    0.272   0.381     5.735   34.524   31.905
LGA    G   111_A      G   111_A     5.617     0    0.154   0.154     5.831   25.119   25.119
LGA    Y   112_A      Y   112_A     5.381     0    0.017   0.272     7.340   26.310   21.667
LGA    S   113_A      S   113_A     5.135     0    0.028   0.588     6.370   26.190   23.889
LGA    G   114_A      G   114_A     5.333     0    0.052   0.052     5.333   30.238   30.238
LGA    R   115_A      R   115_A     4.517     0    0.061   0.607     5.900   35.833   31.688
LGA    N   116_A      N   116_A     3.646     0    0.102   1.287     7.371   41.786   31.488
LGA    C   117_A      C   117_A     4.271     0    0.054   0.087     4.531   35.714   38.254
LGA    E   118_A      E   118_A     4.853     0    0.090   1.289     8.256   25.357   19.365
LGA    T   119_A      T   119_A     7.239     0    0.190   1.118     8.932   11.905    9.660

# 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):     4.088          4.054                  4.448           47.264   44.248

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     76    2.58    61.726    59.848     2.835

LGA_LOCAL      RMSD:   2.580  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.228  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   4.088  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.929308 * X  +   0.200401 * Y  +  -0.310203 * Z  +  54.955650
  Y_new =   0.039014 * X  +   0.781990 * Y  +   0.622069 * Z  +  18.774698
  Z_new =   0.367239 * X  +  -0.590196 * Y  +   0.718891 * Z  +  10.712874 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.041957 -0.376039 -0.687404   [DEG:    2.4039  -21.5454  -39.3854 ]
ZXZ: -2.679016  0.768591  2.584987   [DEG: -153.4963   44.0370  148.1088 ]
 
# END of job
