
#######################################################
#                                                     #
#                        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       2.21     2.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      16_A - 117_A       2.00     2.29
  LCS_AVERAGE:     89.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      12_A - 80_A        1.00     3.64
  LONGEST_CONTINUOUS_SEGMENT:    69      13_A - 81_A        1.00     3.56
  LCS_AVERAGE:     55.99

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     66   89  113     24   49   64   76   85   92  101  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     66   99  113     31   54   69   76   86   98  104  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     66   99  113     24   49   63   75   83   92  100  108  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     66   99  113     26   50   64   76   85   92  100  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     66   99  113     27   54   67   76   85   95  104  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     69   99  113     31   54   69   76   86   98  104  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     69   99  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     69   99  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     69   99  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     69  102  113     29   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     69  102  113     29   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     69  102  113     28   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     69  102  113      8   50   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     69  102  113      5    7   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     69  102  113     23   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     69  102  113      3   21   46   67   85   98  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     69  102  113     27   47   69   80   90   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     69  102  113     29   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     69  102  113     28   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     69  102  113     29   54   70   79   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     69  102  113     29   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     69  102  113     31   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     69  102  113     26   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     69  102  113     29   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     69  102  113     27   54   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     69  102  113     27   51   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     69  102  113     27   51   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     69  102  113     27   48   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     69  102  113     27   49   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     69  102  113     27   51   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     69  102  113     27   51   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     69  102  113     27   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     65  102  113     21   45   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     52  102  113     27   45   69   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     52  102  113     21   45   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     52  102  113     22   45   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     52  102  113     24   45   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     52  102  113     13   42   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     52  102  113      3   22   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     52  102  113      3   29   59   75   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     52  102  113     21   45   59   72   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     52  102  113     24   45   59   69   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     52  102  113     24   43   59   67   85   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     52  102  113     24   36   57   67   74   82  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     52  102  113     19   34   57   67   74   83  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     52  102  113     24   44   59   67   85   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     52  102  113     24   45   59   67   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     52  102  113     24   45   59   73   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     52  102  113     24   45   59   75   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     52  102  113     24   45   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     52  102  113     24   34   55   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     52  102  113     19   34   44   73   85   98  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     52  102  113     24   48   70   80   88   98  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     52  102  113     27   43   70   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     52  102  113     27   45   65   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     52  102  113     24   45   59   80   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     52  102  113     24   45   59   73   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     52  102  113     24   45   59   68   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     52  102  113     24   45   59   67   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     52  102  113     24   44   59   67   79   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     52  102  113     23   34   56   67   74   89  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     52  102  113     23   38   56   67   74   89  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     52  102  113     24   43   59   67   79   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     52  102  113     24   45   59   67   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     52  102  113     24   45   59   69   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     52  102  113     24   45   59   75   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     52  102  113     24   45   59   69   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     52  102  113     24   45   59   67   92   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     52  101  113     24   38   57   67   76   99  106  109  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     52   99  113     19   34   44   60   71   79   88  107  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  81.98  (  55.99   89.94  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     31     54     70     80     92     99    106    109    113    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  27.43  47.79  61.95  70.80  81.42  87.61  93.81  96.46 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.60   0.95   1.28   1.68   1.86   2.03   2.09   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21
GDT RMS_ALL_AT   5.77   4.71   3.42   2.78   2.28   2.23   2.25   2.22   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     3.861     0    0.044   0.966     4.093   43.333   47.460
LGA    C     8_A      C     8_A     3.212     0    0.018   0.057     3.606   46.667   51.429
LGA    A     9_A      A     9_A     4.549     0    0.040   0.052     5.132   34.286   32.667
LGA    S    10_A      S    10_A     4.275     0    0.042   0.153     4.297   40.238   40.238
LGA    N    11_A      N    11_A     3.487     0    0.016   1.006     3.755   48.333   51.071
LGA    P    12_A      P    12_A     3.066     0    0.065   0.085     3.099   53.571   55.102
LGA    C    13_A      C    13_A     2.047     0    0.060   0.059     2.484   64.762   67.460
LGA    L    14_A      L    14_A     2.000     0    0.008   0.115     2.645   72.857   67.857
LGA    N    15_A      N    15_A     1.736     0    0.033   0.120     1.923   72.857   72.857
LGA    Q    16_A      Q    16_A     1.665     0    0.035   0.960     4.500   72.857   63.968
LGA    G    17_A      G    17_A     1.973     0    0.095   0.095     2.202   70.833   70.833
LGA    T    18_A      T    18_A     1.678     0    0.097   1.145     3.595   75.000   68.707
LGA    C    19_A      C    19_A     1.985     0    0.065   0.078     2.309   68.810   67.460
LGA    I    20_A      I    20_A     1.474     0    0.005   0.531     1.727   75.000   77.143
LGA    D    21_A      D    21_A     1.744     0    0.016   0.782     4.800   77.143   64.107
LGA    D    22_A      D    22_A     1.280     0    0.021   0.541     3.030   81.429   73.333
LGA    V    23_A      V    23_A     1.113     0    0.142   0.151     1.818   79.286   81.497
LGA    A    24_A      A    24_A     1.510     0    0.514   0.503     2.851   73.214   70.000
LGA    G    25_A      G    25_A     1.432     0    0.082   0.082     1.489   81.429   81.429
LGA    Y    26_A      Y    26_A     1.904     0    0.039   0.127     3.356   70.833   62.460
LGA    K    27_A      K    27_A     1.302     0    0.089   0.876     5.428   79.286   63.810
LGA    C    28_A      C    28_A     1.199     0    0.047   0.043     1.621   85.952   83.016
LGA    N    29_A      N    29_A     0.761     0    0.016   1.098     2.515   88.214   82.976
LGA    C    30_A      C    30_A     0.672     0    0.072   0.097     0.894   90.476   90.476
LGA    L    31_A      L    31_A     0.957     0    0.090   0.244     1.467   90.476   88.214
LGA    L    32_A      L    32_A     1.221     0    0.019   0.086     2.143   79.286   75.060
LGA    P    33_A      P    33_A     0.999     0    0.114   0.151     1.372   88.214   85.306
LGA    Y    34_A      Y    34_A     0.299     0    0.041   0.099     1.116  100.000   92.897
LGA    T    35_A      T    35_A     0.727     0    0.047   0.085     0.943   90.476   90.476
LGA    G    36_A      G    36_A     1.165     0    0.018   0.018     1.550   79.286   79.286
LGA    A    37_A      A    37_A     1.556     0    0.061   0.058     1.909   75.000   74.571
LGA    T    38_A      T    38_A     1.582     0    0.039   0.105     2.330   77.143   74.150
LGA    C    39_A      C    39_A     1.036     0    0.019   0.050     1.170   81.429   81.429
LGA    E    40_A      E    40_A     1.387     0    0.067   0.245     1.904   81.429   76.667
LGA    V    41_A      V    41_A     0.947     0    0.072   0.077     1.416   88.214   85.306
LGA    V    42_A      V    42_A     0.278     0    0.018   0.037     0.552   97.619   95.918
LGA    L    43_A      L    43_A     0.999     0    0.073   0.072     1.152   85.952   83.690
LGA    A    44_A      A    44_A     1.410     0    0.024   0.030     1.730   77.143   78.000
LGA    P    45_A      P    45_A     1.717     0    0.036   0.074     1.999   72.857   72.857
LGA    C    46_A      C    46_A     2.182     0    0.049   0.051     2.506   64.881   64.841
LGA    A    47_A      A    47_A     1.796     0    0.647   0.608     3.118   67.143   65.143
LGA    P    48_A      P    48_A     3.620     0    0.156   0.410     4.811   47.738   46.327
LGA    S    49_A      S    49_A     2.888     0    0.100   0.180     3.666   57.143   53.651
LGA    P    50_A      P    50_A     2.476     0    0.080   0.092     2.507   62.857   63.673
LGA    C    51_A      C    51_A     2.630     0    0.127   0.158     3.269   55.357   57.222
LGA    R    52_A      R    52_A     2.339     0    0.025   0.653     2.596   64.762   65.584
LGA    N    53_A      N    53_A     2.268     0    0.045   0.135     2.298   64.762   65.774
LGA    G    54_A      G    54_A     2.497     0    0.040   0.040     2.504   62.857   62.857
LGA    G    55_A      G    55_A     2.256     0    0.048   0.048     2.464   64.762   64.762
LGA    E    56_A      E    56_A     2.502     0    0.009   1.132     6.951   62.857   44.444
LGA    C    57_A      C    57_A     2.409     0    0.041   0.041     2.476   64.762   64.762
LGA    R    58_A      R    58_A     2.293     0    0.022   1.273     5.476   64.762   57.273
LGA    Q    59_A      Q    59_A     2.051     0    0.016   1.039     4.069   64.762   63.545
LGA    S    60_A      S    60_A     2.238     0    0.015   0.110     2.304   66.786   67.460
LGA    E    61_A      E    61_A     2.293     0    0.025   0.741     3.360   64.762   61.429
LGA    D    62_A      D    62_A     1.858     0    0.040   0.333     2.411   70.833   70.833
LGA    Y    63_A      Y    63_A     1.846     0    0.043   0.093     1.981   72.857   72.857
LGA    E    64_A      E    64_A     1.806     0    0.026   0.884     3.845   72.857   67.778
LGA    S    65_A      S    65_A     2.241     0    0.061   0.103     2.592   64.762   62.222
LGA    F    66_A      F    66_A     2.108     0    0.034   0.076     2.149   64.762   64.762
LGA    S    67_A      S    67_A     2.116     0    0.062   0.088     2.408   64.762   64.762
LGA    C    68_A      C    68_A     1.973     0    0.038   0.047     2.117   72.857   71.508
LGA    V    69_A      V    69_A     1.971     0    0.011   0.032     2.134   70.833   68.231
LGA    C    70_A      C    70_A     1.901     0    0.036   0.038     1.952   72.857   72.857
LGA    P    71_A      P    71_A     2.062     0    0.010   0.052     2.202   68.810   67.075
LGA    T    72_A      T    72_A     1.808     0    0.011   0.030     2.138   70.833   70.544
LGA    G    73_A      G    73_A     1.294     0    0.034   0.034     1.408   81.429   81.429
LGA    W    74_A      W    74_A     1.652     0    0.052   0.191     2.118   72.857   67.653
LGA    Q    75_A      Q    75_A     1.409     0    0.030   0.332     1.624   77.143   79.577
LGA    G    76_A      G    76_A     1.467     0    0.038   0.038     1.806   77.143   77.143
LGA    Q    77_A      Q    77_A     1.573     0    0.017   0.082     1.811   72.857   76.667
LGA    T    78_A      T    78_A     1.974     0    0.015   0.058     2.075   68.810   67.075
LGA    C    79_A      C    79_A     2.000     0    0.029   0.059     2.137   66.786   66.111
LGA    E    80_A      E    80_A     1.993     0    0.055   0.956     6.736   70.833   52.116
LGA    V    81_A      V    81_A     1.656     0    0.039   0.041     1.708   72.857   74.082
LGA    D    82_A      D    82_A     1.710     0    0.042   0.086     1.955   77.143   75.000
LGA    I    83_A      I    83_A     1.011     0    0.051   0.050     1.317   85.952   85.952
LGA    N    84_A      N    84_A     0.726     0    0.038   0.067     1.045   90.476   89.345
LGA    E    85_A      E    85_A     0.320     0    0.020   0.071     0.903  100.000   95.767
LGA    C    86_A      C    86_A     0.756     0    0.079   0.086     0.919   90.476   90.476
LGA    V    87_A      V    87_A     0.577     0    0.082   1.219     2.963   90.476   82.041
LGA    L    88_A      L    88_A     0.974     0    0.461   0.350     4.653   84.048   64.881
LGA    S    89_A      S    89_A     1.571     0    0.369   0.726     4.572   77.262   67.540
LGA    P    90_A      P    90_A     1.792     0    0.138   0.200     2.130   70.833   69.388
LGA    C    91_A      C    91_A     2.080     0    0.022   0.035     2.518   64.881   67.540
LGA    R    92_A      R    92_A     3.184     0    0.025   1.356     3.465   51.786   58.312
LGA    H    93_A      H    93_A     4.258     0    0.059   0.077     4.808   38.690   35.476
LGA    G    94_A      G    94_A     4.100     0    0.116   0.116     4.100   40.238   40.238
LGA    A    95_A      A    95_A     3.075     0    0.017   0.026     3.429   53.571   54.286
LGA    S    96_A      S    96_A     2.687     0    0.057   0.091     2.863   60.952   59.683
LGA    C    97_A      C    97_A     1.530     0    0.015   0.041     1.858   72.857   77.222
LGA    Q    98_A      Q    98_A     1.502     0    0.009   0.229     2.832   81.548   74.074
LGA    N    99_A      N    99_A     1.558     0    0.075   0.255     2.778   72.976   70.952
LGA    T   100_A      T   100_A     2.442     0    0.029   0.097     2.733   62.976   63.741
LGA    H   101_A      H   101_A     3.508     0    0.025   1.151     6.667   46.667   38.619
LGA    G   102_A      G   102_A     3.290     0    0.109   0.109     3.290   51.786   51.786
LGA    G   103_A      G   103_A     2.337     0    0.046   0.046     2.611   69.048   69.048
LGA    Y   104_A      Y   104_A     0.920     0    0.044   0.099     1.706   86.071   84.524
LGA    R   105_A      R   105_A     0.515     0    0.045   1.185     4.754   88.214   73.463
LGA    C   106_A      C   106_A     1.299     0    0.046   0.094     1.753   79.405   78.651
LGA    H   107_A      H   107_A     2.084     0    0.063   1.135     3.103   64.881   62.571
LGA    C   108_A      C   108_A     2.391     0    0.007   0.074     2.776   60.952   63.571
LGA    Q   109_A      Q   109_A     3.227     0    0.029   0.683     6.202   50.119   42.275
LGA    A   110_A      A   110_A     4.067     0    0.028   0.029     4.712   37.262   36.095
LGA    G   111_A      G   111_A     3.924     0    0.134   0.134     3.924   43.333   43.333
LGA    Y   112_A      Y   112_A     3.267     0    0.038   0.105     5.702   53.571   41.032
LGA    S   113_A      S   113_A     2.165     0    0.029   0.132     2.718   62.857   63.492
LGA    G   114_A      G   114_A     1.877     0    0.037   0.037     1.877   75.000   75.000
LGA    R   115_A      R   115_A     1.500     0    0.017   0.675     4.167   77.143   68.312
LGA    N   116_A      N   116_A     2.025     0    0.012   0.348     2.693   66.786   66.905
LGA    C   117_A      C   117_A     2.540     0    0.030   0.045     3.169   57.262   58.492
LGA    E   118_A      E   118_A     3.382     0    0.068   0.117     3.930   46.667   49.312
LGA    T   119_A      T   119_A     4.560     0    0.513   0.524     4.867   34.286   34.694

# 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):     2.210          2.210                  2.417           69.543   67.330

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    109    2.09    78.761    85.955     4.975

LGA_LOCAL      RMSD:   2.091  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.215  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.210  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.948975 * X  +   0.002680 * Y  +   0.315339 * Z  +   7.757341
  Y_new =  -0.313192 * X  +   0.108800 * Y  +  -0.943437 * Z  +  21.196304
  Z_new =  -0.036837 * X  +  -0.994060 * Y  +  -0.102409 * Z  +  25.853580 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.822817  0.036845 -1.673456   [DEG: -161.7355    2.1111  -95.8819 ]
ZXZ:  0.322571  1.673386 -3.104553   [DEG:   18.4819   95.8779 -177.8778 ]
 
# END of job
