
#######################################################
#                                                     #
#                        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       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113       7_A - 119_A       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       7_A - 85_A        0.97     2.81
  LCS_AVERAGE:     63.16

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     79  113  113     33   69   76   86   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     79  113  113     43   70   76   86   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     79  113  113     33   63   76   81   94  104  109  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     79  113  113     42   69   76   83   96  104  109  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     79  113  113     43   70   76   86   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     79  113  113     43   70   76   87   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     79  113  113     30   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     79  113  113     38   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     79  113  113     42   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     79  113  113     27   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     79  113  113      5    7   10   17   75  101  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     79  113  113     26   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     79  113  113     40   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     79  113  113      3    4   42   82   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     79  113  113     19   61   76   86   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     79  113  113     40   70   76   87   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     79  113  113     31   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     79  113  113     36   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     79  113  113     42   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     79  113  113     33   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     79  113  113     43   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     79  113  113     42   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     79  113  113     36   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     79  113  113     36   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     79  113  113     36   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     79  113  113     28   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     79  113  113     29   70   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     79  113  113     18   59   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     79  113  113     27   59   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     79  113  113     21   43   74   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     79  113  113     17   43   74   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     76  113  113     20   43   72   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     73  113  113      9   42   74   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     64  113  113      4   31   73   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     52  113  113      4   35   69   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     52  113  113     21   41   58   70   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     52  113  113     16   32   54   66   75   88  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     52  113  113     15   32   56   67   76  101  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     52  113  113     21   42   58   70   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     52  113  113     21   43   60   82   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     52  113  113     21   43   62   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     52  113  113     21   41   69   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     52  113  113     15   32   53   86   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     52  113  113      7   24   42   69   88  101  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     52  113  113     20   57   76   83   93  103  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     52  113  113     29   70   76   86   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     52  113  113     27   59   76   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     52  113  113     21   43   74   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     52  113  113     19   41   58   70   95  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     52  113  113     19   35   55   66   76  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     52  113  113     19   41   58   70   95  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     52  113  113     21   43   60   76   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     52  113  113     21   43   72   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     52  113  113     21   43   60   88   96  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     52  113  113     21   39   58   69   94  104  110  112  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     51  113  113     15   27   39   47   65   77   92  111  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  87.72  (  63.16  100.00  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     43     70     76     88     96    104    110    112    113    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  38.05  61.95  67.26  77.88  84.96  92.04  97.35  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.60   0.69   1.35   1.42   1.62   1.80   1.83   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87
GDT RMS_ALL_AT   3.72   3.00   3.05   1.92   1.96   1.89   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  D    22_A      D    22_A
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  Y   104_A      Y   104_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     2.425     0    0.084   1.028     3.464   64.762   66.878
LGA    C     8_A      C     8_A     2.062     0    0.024   0.055     2.378   64.762   67.460
LGA    A     9_A      A     9_A     3.063     0    0.056   0.061     3.569   55.357   52.952
LGA    S    10_A      S    10_A     2.706     0    0.036   0.131     2.811   60.952   60.952
LGA    N    11_A      N    11_A     2.235     0    0.035   1.009     2.822   64.762   66.905
LGA    P    12_A      P    12_A     1.930     0    0.046   0.076     1.959   72.857   72.857
LGA    C    13_A      C    13_A     1.375     0    0.013   0.040     1.574   77.143   78.571
LGA    L    14_A      L    14_A     1.256     0    0.016   0.091     1.754   81.429   79.286
LGA    N    15_A      N    15_A     1.127     0    0.049   0.184     1.471   81.429   81.429
LGA    Q    16_A      Q    16_A     0.972     0    0.018   1.129     4.620   85.952   72.381
LGA    G    17_A      G    17_A     1.471     0    0.038   0.038     1.471   81.429   81.429
LGA    T    18_A      T    18_A     1.284     0    0.078   1.135     3.341   81.429   74.558
LGA    C    19_A      C    19_A     1.465     0    0.066   0.104     1.677   79.286   78.571
LGA    I    20_A      I    20_A     1.084     0    0.052   0.484     1.575   81.429   82.619
LGA    D    21_A      D    21_A     1.245     0    0.041   0.868     4.391   81.429   69.821
LGA    D    22_A      D    22_A     1.108     0    0.053   0.834     4.099   83.690   70.060
LGA    V    23_A      V    23_A     1.094     0    0.615   0.554     1.783   79.286   80.204
LGA    A    24_A      A    24_A     3.347     0    0.512   0.514     4.715   61.429   55.429
LGA    G    25_A      G    25_A     1.050     0    0.126   0.126     2.606   73.214   73.214
LGA    Y    26_A      Y    26_A     1.207     0    0.022   0.077     1.737   81.429   78.571
LGA    K    27_A      K    27_A     0.869     0    0.023   0.055     1.065   88.214   89.471
LGA    C    28_A      C    28_A     0.885     0    0.014   0.030     0.929   90.476   90.476
LGA    N    29_A      N    29_A     0.760     0    0.042   1.322     3.672   90.476   78.214
LGA    C    30_A      C    30_A     0.597     0    0.078   0.122     0.721   90.476   90.476
LGA    L    31_A      L    31_A     0.613     0    0.117   0.253     0.928   90.476   90.476
LGA    L    32_A      L    32_A     0.671     0    0.050   0.125     1.288   90.595   88.274
LGA    P    33_A      P    33_A     0.500     0    0.076   0.110     0.817   97.619   95.918
LGA    Y    34_A      Y    34_A     0.280     0    0.016   0.082     0.973  100.000   94.444
LGA    T    35_A      T    35_A     0.590     0    0.058   0.066     0.753   90.476   90.476
LGA    G    36_A      G    36_A     0.677     0    0.030   0.030     1.146   88.214   88.214
LGA    A    37_A      A    37_A     0.972     0    0.041   0.044     1.191   90.476   88.667
LGA    T    38_A      T    38_A     1.028     0    0.012   0.127     1.676   85.952   82.789
LGA    C    39_A      C    39_A     0.696     0    0.037   0.048     0.781   90.476   90.476
LGA    E    40_A      E    40_A     0.929     0    0.049   0.187     1.368   90.476   86.455
LGA    V    41_A      V    41_A     0.579     0    0.062   0.080     0.907   92.857   91.837
LGA    V    42_A      V    42_A     0.189     0    0.024   1.129     2.361  100.000   89.932
LGA    L    43_A      L    43_A     0.578     0    0.020   0.067     0.641   92.857   91.667
LGA    A    44_A      A    44_A     0.952     0    0.042   0.045     1.320   85.952   85.048
LGA    P    45_A      P    45_A     1.276     0    0.033   0.053     1.497   81.429   81.429
LGA    C    46_A      C    46_A     1.644     0    0.038   0.038     1.850   75.000   74.286
LGA    A    47_A      A    47_A     1.390     0    0.639   0.611     3.409   73.571   73.429
LGA    P    48_A      P    48_A     3.117     0    0.073   0.334     4.519   54.643   49.184
LGA    S    49_A      S    49_A     2.487     0    0.068   0.088     3.140   64.762   59.841
LGA    P    50_A      P    50_A     2.057     0    0.027   0.053     2.119   64.762   67.075
LGA    C    51_A      C    51_A     2.233     0    0.083   0.115     2.798   62.857   63.492
LGA    R    52_A      R    52_A     2.086     0    0.017   1.282     5.628   64.762   53.680
LGA    N    53_A      N    53_A     1.985     0    0.044   0.175     2.292   68.810   69.821
LGA    G    54_A      G    54_A     2.076     0    0.050   0.050     2.141   64.762   64.762
LGA    G    55_A      G    55_A     1.865     0    0.029   0.029     2.041   70.833   70.833
LGA    E    56_A      E    56_A     1.955     0    0.017   1.100     6.141   72.857   52.011
LGA    C    57_A      C    57_A     1.971     0    0.029   0.091     2.059   70.833   70.159
LGA    R    58_A      R    58_A     1.893     0    0.050   1.237     5.082   72.857   62.944
LGA    Q    59_A      Q    59_A     1.451     0    0.008   0.674     3.582   77.143   64.815
LGA    S    60_A      S    60_A     1.587     0    0.011   0.012     1.646   79.286   78.571
LGA    E    61_A      E    61_A     1.623     0    0.039   0.735     2.864   77.143   72.116
LGA    D    62_A      D    62_A     1.257     0    0.027   0.185     1.804   83.690   81.488
LGA    Y    63_A      Y    63_A     1.130     0    0.066   0.112     1.215   81.429   83.690
LGA    E    64_A      E    64_A     1.240     0    0.031   0.925     4.535   81.429   71.323
LGA    S    65_A      S    65_A     1.683     0    0.024   0.049     1.884   72.857   72.857
LGA    F    66_A      F    66_A     1.770     0    0.025   0.072     1.853   72.857   72.857
LGA    S    67_A      S    67_A     1.729     0    0.041   0.053     1.977   72.857   72.857
LGA    C    68_A      C    68_A     1.771     0    0.015   0.048     1.891   72.857   72.857
LGA    V    69_A      V    69_A     1.748     0    0.025   0.021     1.890   72.857   72.857
LGA    C    70_A      C    70_A     1.750     0    0.015   0.021     1.802   72.857   72.857
LGA    P    71_A      P    71_A     1.918     0    0.024   0.064     2.060   70.833   71.701
LGA    T    72_A      T    72_A     1.910     0    0.018   0.060     2.261   72.857   70.544
LGA    G    73_A      G    73_A     1.398     0    0.023   0.023     1.503   79.286   79.286
LGA    W    74_A      W    74_A     1.656     0    0.011   0.101     2.131   72.857   69.966
LGA    Q    75_A      Q    75_A     1.611     0    0.029   0.524     2.227   72.857   71.958
LGA    G    76_A      G    76_A     1.619     0    0.064   0.064     2.032   70.833   70.833
LGA    Q    77_A      Q    77_A     1.477     0    0.022   0.110     1.714   77.143   80.529
LGA    T    78_A      T    78_A     1.870     0    0.056   0.067     1.931   72.857   72.857
LGA    C    79_A      C    79_A     1.772     0    0.077   0.066     1.832   72.857   72.857
LGA    E    80_A      E    80_A     1.864     0    0.048   0.991     7.320   72.857   50.265
LGA    V    81_A      V    81_A     1.541     0    0.037   0.051     1.652   75.000   74.082
LGA    D    82_A      D    82_A     1.628     0    0.097   0.222     2.099   77.143   70.952
LGA    I    83_A      I    83_A     0.821     0    0.023   0.057     1.193   88.214   88.214
LGA    N    84_A      N    84_A     0.597     0    0.034   0.045     0.856   95.238   92.857
LGA    E    85_A      E    85_A     0.332     0    0.021   0.084     0.718  100.000   96.825
LGA    C    86_A      C    86_A     0.813     0    0.085   0.091     0.909   90.476   90.476
LGA    V    87_A      V    87_A     0.697     0    0.058   0.073     0.798   90.476   90.476
LGA    L    88_A      L    88_A     0.937     0    0.448   0.337     4.416   81.786   65.298
LGA    S    89_A      S    89_A     1.406     0    0.381   0.725     4.374   79.405   69.921
LGA    P    90_A      P    90_A     1.659     0    0.114   0.170     1.954   72.857   72.857
LGA    C    91_A      C    91_A     1.860     0    0.069   0.087     2.168   68.810   71.587
LGA    R    92_A      R    92_A     3.001     0    0.030   1.401     3.220   51.786   59.697
LGA    H    93_A      H    93_A     4.021     0    0.012   0.063     4.646   40.238   36.667
LGA    G    94_A      G    94_A     3.759     0    0.097   0.097     3.759   45.000   45.000
LGA    A    95_A      A    95_A     2.762     0    0.031   0.038     3.067   55.357   57.238
LGA    S    96_A      S    96_A     2.429     0    0.027   0.056     2.590   62.857   62.222
LGA    C    97_A      C    97_A     1.409     0    0.019   0.072     1.756   77.143   80.079
LGA    Q    98_A      Q    98_A     1.465     0    0.021   0.122     2.672   81.429   74.021
LGA    N    99_A      N    99_A     1.651     0    0.039   0.198     2.847   68.810   67.857
LGA    T   100_A      T   100_A     2.609     0    0.039   0.075     2.783   60.952   60.408
LGA    H   101_A      H   101_A     3.685     0    0.020   1.151     7.416   43.452   32.619
LGA    G   102_A      G   102_A     3.229     0    0.032   0.032     3.295   50.000   50.000
LGA    G   103_A      G   103_A     2.339     0    0.054   0.054     2.566   66.905   66.905
LGA    Y   104_A      Y   104_A     1.056     0    0.033   0.087     2.122   81.548   80.913
LGA    R   105_A      R   105_A     0.667     0    0.022   1.172     6.577   90.476   68.658
LGA    C   106_A      C   106_A     1.045     0    0.052   0.088     1.379   83.690   82.937
LGA    H   107_A      H   107_A     1.730     0    0.077   1.118     3.000   70.833   67.381
LGA    C   108_A      C   108_A     2.013     0    0.038   0.103     2.481   66.786   70.238
LGA    Q   109_A      Q   109_A     3.007     0    0.014   0.176     3.234   51.786   53.175
LGA    A   110_A      A   110_A     3.600     0    0.008   0.010     4.176   43.333   42.095
LGA    G   111_A      G   111_A     3.048     0    0.115   0.115     3.048   53.571   53.571
LGA    Y   112_A      Y   112_A     2.587     0    0.013   0.109     5.160   62.976   48.135
LGA    S   113_A      S   113_A     1.562     0    0.020   0.120     1.976   72.857   75.714
LGA    G   114_A      G   114_A     1.376     0    0.031   0.031     1.376   83.690   83.690
LGA    R   115_A      R   115_A     1.206     0    0.028   0.754     4.699   81.429   69.610
LGA    N   116_A      N   116_A     1.873     0    0.019   0.162     2.481   68.810   68.810
LGA    C   117_A      C   117_A     2.105     0    0.029   0.038     2.748   62.976   64.921
LGA    E   118_A      E   118_A     2.942     0    0.050   0.142     3.707   50.238   54.127
LGA    T   119_A      T   119_A     4.441     0    0.015   1.036     5.758   37.262   35.850

# 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):     1.871          1.872                  2.152           74.693   72.181

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    112    1.83    84.735    91.325     5.796

LGA_LOCAL      RMSD:   1.832  Number of atoms:  112  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.872  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   1.871  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.578845 * X  +   0.261108 * Y  +   0.772503 * Z  +   8.078103
  Y_new =  -0.685208 * X  +   0.357837 * Y  +  -0.634383 * Z  +  20.441830
  Z_new =  -0.442073 * X  +  -0.896535 * Y  +  -0.028218 * Z  +  25.491648 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.272247  0.457908 -1.602261   [DEG: -130.1902   26.2362  -91.8028 ]
ZXZ:  0.883259  1.599019 -2.683488   [DEG:   50.6070   91.6170 -153.7525 ]
 
# END of job
