
#######################################################
#                                                     #
#                        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       2.56     2.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86      32_A - 117_A       1.99     3.21
  LCS_AVERAGE:     75.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      65_A - 118_A       0.98     6.33
  LCS_AVERAGE:     45.23

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     48   84  113     26   44   58   69   75   82   90  104  108  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     48   84  113     29   45   60   70   77   86   98  105  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     48   84  113     26   44   56   66   75   81   87  101  108  110  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     48   84  113     29   45   58   69   75   81   87  104  108  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     48   84  113     29   45   59   70   76   82   96  105  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     48   84  113     29   45   60   70   76   85   98  105  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     48   84  113     29   45   60   70   77   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     48   84  113     26   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     48   84  113     27   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     48   84  113      7   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     48   84  113     14   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     48   84  113     19   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     48   84  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     48   86  113     29   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     49   86  113     29   43   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     49   86  113     26   41   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     49   86  113      9   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     49   86  113     26   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     49   86  113      6   42   62   69   77   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     49   86  113      3    9   62   69   73   85   98  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     49   86  113      4   33   62   69   75   88  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     49   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     49   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     49   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     49   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     49   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     49   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     49   86  113     26   44   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     49   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     49   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     49   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     49   86  113      9   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     49   86  113     21   45   60   70   77   92  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     49   86  113      9   45   60   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     49   86  113     29   45   61   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     49   86  113     25   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     54   86  113     24   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     54   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     54   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     54   86  113     26   45   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     54   86  113     25   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     54   86  113     18   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     54   86  113     23   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     54   86  113     23   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     54   86  113     23   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     54   86  113      3   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     54   86  113      3   32   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     54   86  113     22   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     54   86  113     24   42   62   69   74   90  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     54   86  113     24   35   57   69   73   80   95  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     54   86  113     12   34   57   69   73   82   95  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     54   86  113     24   42   62   69   74   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     54   86  113     24   42   62   69   74   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     54   86  113     24   41   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     54   86  113     24   34   56   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     54   86  113     18   33   45   67   75   88   98  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     54   86  113     24   34   60   70   79   92  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     54   86  113     20   35   59   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     54   86  113     26   42   62   70   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     54   86  113     17   42   62   69   74   90  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     54   86  113     17   32   57   69   73   82   98  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     54   86  113     13   35   60   69   73   82  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     54   86  113     24   42   62   69   74   90  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     54   86  113     24   39   62   69   77   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     54   86  113     24   39   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     54   86  113     24   42   62   69   79   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     54   86  113     24   42   62   69   75   93  100  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     54   84  113     24   35   57   69   73   82   98  106  109  111  112  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     53   83  113      4   30   38   50   64   74   77   85   98  107  112  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  73.63  (  45.23   75.68  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     29     45     62     70     79     93    100    106    109    111    112    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  25.66  39.82  54.87  61.95  69.91  82.30  88.50  93.81  96.46  98.23  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.58   0.93   1.17   1.65   2.02   2.16   2.31   2.40   2.47   2.51   2.56   2.56   2.56   2.56   2.56   2.56   2.56   2.56   2.56
GDT RMS_ALL_AT   6.70   5.58   4.78   4.04   2.97   2.60   2.59   2.61   2.57   2.56   2.56   2.56   2.56   2.56   2.56   2.56   2.56   2.56   2.56   2.56

# 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     5.315     0    0.038   0.950     5.518   26.190   29.524
LGA    C     8_A      C     8_A     4.491     0    0.023   0.057     5.102   30.238   34.683
LGA    A     9_A      A     9_A     6.363     0    0.046   0.059     7.078   17.262   15.810
LGA    S    10_A      S    10_A     6.186     0    0.057   0.167     6.204   19.286   19.286
LGA    N    11_A      N    11_A     5.160     0    0.009   1.024     5.489   27.500   30.238
LGA    P    12_A      P    12_A     4.668     0    0.049   0.067     4.692   34.286   34.694
LGA    C    13_A      C    13_A     3.345     0    0.041   0.040     3.879   45.000   49.048
LGA    L    14_A      L    14_A     3.540     0    0.009   0.098     4.644   50.119   43.690
LGA    N    15_A      N    15_A     3.334     0    0.041   0.140     3.700   51.786   50.060
LGA    Q    16_A      Q    16_A     3.323     0    0.044   1.283     8.011   50.000   37.725
LGA    G    17_A      G    17_A     3.056     0    0.095   0.095     3.500   48.333   48.333
LGA    T    18_A      T    18_A     2.731     0    0.092   1.142     4.237   59.048   54.354
LGA    C    19_A      C    19_A     2.884     0    0.056   0.062     3.310   55.357   53.571
LGA    I    20_A      I    20_A     1.974     0    0.034   0.508     2.176   66.786   71.964
LGA    D    21_A      D    21_A     2.379     0    0.023   0.814     5.864   68.810   53.512
LGA    D    22_A      D    22_A     1.918     0    0.020   0.863     4.290   64.881   57.857
LGA    V    23_A      V    23_A     2.418     0    0.125   0.125     3.330   59.167   60.476
LGA    A    24_A      A    24_A     2.530     0    0.473   0.467     4.490   52.262   51.810
LGA    G    25_A      G    25_A     2.653     0    0.112   0.112     2.653   64.881   64.881
LGA    Y    26_A      Y    26_A     2.827     0    0.032   0.138     4.675   55.357   45.992
LGA    K    27_A      K    27_A     1.947     0    0.043   0.289     2.450   70.833   70.212
LGA    C    28_A      C    28_A     1.704     0    0.019   0.038     2.518   77.143   73.095
LGA    N    29_A      N    29_A     1.102     0    0.039   1.307     4.131   79.286   67.976
LGA    C    30_A      C    30_A     1.112     0    0.087   0.111     1.248   83.690   84.444
LGA    L    31_A      L    31_A     1.803     0    0.079   0.211     2.779   72.857   68.869
LGA    L    32_A      L    32_A     1.929     0    0.026   0.102     3.012   66.905   65.000
LGA    P    33_A      P    33_A     1.453     0    0.098   0.125     2.180   83.810   79.184
LGA    Y    34_A      Y    34_A     0.765     0    0.040   0.068     2.255   92.857   78.889
LGA    T    35_A      T    35_A     0.986     0    0.047   0.081     1.454   85.952   85.306
LGA    G    36_A      G    36_A     1.900     0    0.014   0.014     2.148   68.810   68.810
LGA    A    37_A      A    37_A     2.645     0    0.066   0.064     3.248   60.952   58.762
LGA    T    38_A      T    38_A     2.689     0    0.037   0.103     3.754   59.048   54.218
LGA    C    39_A      C    39_A     1.818     0    0.019   0.057     2.081   66.786   68.810
LGA    E    40_A      E    40_A     2.635     0    0.077   0.273     3.377   62.857   56.508
LGA    V    41_A      V    41_A     1.722     0    0.062   0.070     2.351   77.143   74.150
LGA    V    42_A      V    42_A     0.628     0    0.027   1.093     3.187   95.238   84.898
LGA    L    43_A      L    43_A     0.958     0    0.092   0.089     1.353   85.952   83.690
LGA    A    44_A      A    44_A     1.401     0    0.046   0.052     1.825   77.143   78.000
LGA    P    45_A      P    45_A     1.859     0    0.013   0.085     2.271   68.810   70.544
LGA    C    46_A      C    46_A     2.381     0    0.082   0.085     3.134   59.167   61.032
LGA    A    47_A      A    47_A     2.430     0    0.580   0.527     3.756   62.857   58.952
LGA    P    48_A      P    48_A     3.919     0    0.677   0.704     4.848   43.810   41.973
LGA    S    49_A      S    49_A     3.289     0    0.269   0.620     5.590   53.571   44.524
LGA    P    50_A      P    50_A     2.360     0    0.026   0.037     2.535   62.857   63.673
LGA    C    51_A      C    51_A     2.394     0    0.107   0.147     2.819   62.857   63.492
LGA    R    52_A      R    52_A     2.073     0    0.023   1.072     4.247   64.762   58.831
LGA    N    53_A      N    53_A     1.869     0    0.052   0.176     2.116   72.857   71.845
LGA    G    54_A      G    54_A     1.989     0    0.039   0.039     2.002   70.833   70.833
LGA    G    55_A      G    55_A     1.944     0    0.048   0.048     2.082   68.810   68.810
LGA    E    56_A      E    56_A     2.168     0    0.008   1.125     6.450   66.786   48.889
LGA    C    57_A      C    57_A     2.208     0    0.033   0.041     2.277   64.762   64.762
LGA    R    58_A      R    58_A     2.179     0    0.034   1.270     5.968   64.762   55.022
LGA    Q    59_A      Q    59_A     2.006     0    0.025   0.688     3.765   66.786   58.519
LGA    S    60_A      S    60_A     2.852     0    0.017   0.122     3.080   60.952   59.762
LGA    E    61_A      E    61_A     3.294     0    0.018   0.944     6.849   50.000   37.619
LGA    D    62_A      D    62_A     2.734     0    0.036   0.349     3.634   57.262   54.583
LGA    Y    63_A      Y    63_A     2.206     0    0.067   0.142     2.589   64.881   64.167
LGA    E    64_A      E    64_A     2.307     0    0.024   0.928     4.703   64.762   59.365
LGA    S    65_A      S    65_A     2.826     0    0.069   0.118     3.469   57.143   54.762
LGA    F    66_A      F    66_A     2.390     0    0.031   0.060     2.552   62.857   64.069
LGA    S    67_A      S    67_A     2.233     0    0.039   0.066     2.320   64.762   64.762
LGA    C    68_A      C    68_A     2.031     0    0.022   0.042     2.152   66.786   66.111
LGA    V    69_A      V    69_A     1.869     0    0.023   0.046     2.031   72.857   71.701
LGA    C    70_A      C    70_A     1.793     0    0.032   0.040     1.921   72.857   72.857
LGA    P    71_A      P    71_A     1.651     0    0.012   0.061     1.765   72.857   72.857
LGA    T    72_A      T    72_A     1.475     0    0.029   0.049     1.604   77.143   76.531
LGA    G    73_A      G    73_A     1.322     0    0.023   0.023     1.436   81.429   81.429
LGA    W    74_A      W    74_A     1.695     0    0.048   0.062     1.914   72.857   72.857
LGA    Q    75_A      Q    75_A     1.698     0    0.032   0.403     2.337   72.857   72.910
LGA    G    76_A      G    76_A     1.837     0    0.032   0.032     2.057   70.833   70.833
LGA    Q    77_A      Q    77_A     2.051     0    0.015   0.313     2.364   66.786   68.413
LGA    T    78_A      T    78_A     2.175     0    0.020   0.051     2.308   64.762   64.762
LGA    C    79_A      C    79_A     2.095     0    0.021   0.064     2.236   66.786   66.111
LGA    E    80_A      E    80_A     2.087     0    0.060   0.945     7.180   66.786   48.836
LGA    V    81_A      V    81_A     1.804     0    0.052   0.056     1.831   72.857   72.857
LGA    D    82_A      D    82_A     1.921     0    0.064   0.140     2.621   75.000   68.929
LGA    I    83_A      I    83_A     1.205     0    0.061   0.060     1.498   81.429   82.560
LGA    N    84_A      N    84_A     0.935     0    0.044   0.081     1.493   90.476   87.083
LGA    E    85_A      E    85_A     0.397     0    0.037   0.076     0.939   95.238   93.651
LGA    C    86_A      C    86_A     0.820     0    0.086   0.094     0.998   90.476   90.476
LGA    V    87_A      V    87_A     0.850     0    0.038   0.055     1.073   90.476   89.184
LGA    L    88_A      L    88_A     0.948     0    0.465   0.353     4.211   84.048   67.440
LGA    S    89_A      S    89_A     1.602     0    0.367   0.736     4.821   75.000   66.032
LGA    P    90_A      P    90_A     1.648     0    0.144   0.208     1.963   72.857   72.857
LGA    C    91_A      C    91_A     1.875     0    0.040   0.067     2.277   68.810   71.587
LGA    R    92_A      R    92_A     3.129     0    0.025   1.399     6.864   51.786   43.680
LGA    H    93_A      H    93_A     4.232     0    0.063   0.104     4.917   38.690   36.048
LGA    G    94_A      G    94_A     4.124     0    0.109   0.109     4.124   40.238   40.238
LGA    A    95_A      A    95_A     2.836     0    0.036   0.041     3.261   55.357   57.238
LGA    S    96_A      S    96_A     2.592     0    0.087   0.689     3.079   60.952   58.492
LGA    C    97_A      C    97_A     1.437     0    0.018   0.042     1.837   75.000   78.651
LGA    Q    98_A      Q    98_A     1.607     0    0.014   0.137     2.693   79.286   72.169
LGA    N    99_A      N    99_A     1.847     0    0.055   0.242     3.250   68.810   65.952
LGA    T   100_A      T   100_A     2.621     0    0.016   0.092     2.921   59.048   60.408
LGA    H   101_A      H   101_A     3.728     0    0.027   1.159     7.506   45.000   33.524
LGA    G   102_A      G   102_A     3.235     0    0.118   0.118     3.259   53.571   53.571
LGA    G   103_A      G   103_A     2.344     0    0.041   0.041     2.596   69.048   69.048
LGA    Y   104_A      Y   104_A     1.112     0    0.048   0.119     1.661   81.548   83.016
LGA    R   105_A      R   105_A     0.706     0    0.033   1.295     6.768   90.476   68.658
LGA    C   106_A      C   106_A     0.935     0    0.055   0.108     1.272   88.333   86.032
LGA    H   107_A      H   107_A     1.643     0    0.053   1.115     2.777   72.976   68.952
LGA    C   108_A      C   108_A     2.036     0    0.007   0.048     2.435   66.786   68.810
LGA    Q   109_A      Q   109_A     3.027     0    0.021   0.690     6.272   51.786   43.016
LGA    A   110_A      A   110_A     3.614     0    0.022   0.022     4.240   41.786   40.857
LGA    G   111_A      G   111_A     3.514     0    0.152   0.152     3.514   48.333   48.333
LGA    Y   112_A      Y   112_A     3.125     0    0.041   0.112     6.273   55.476   39.524
LGA    S   113_A      S   113_A     2.038     0    0.037   0.119     2.587   60.952   62.222
LGA    G   114_A      G   114_A     2.251     0    0.027   0.027     2.251   70.952   70.952
LGA    R   115_A      R   115_A     1.775     0    0.008   0.699     4.519   72.976   65.541
LGA    N   116_A      N   116_A     2.111     0    0.023   0.227     2.731   62.857   64.940
LGA    C   117_A      C   117_A     2.571     0    0.019   0.065     3.328   55.476   59.921
LGA    E   118_A      E   118_A     3.671     0    0.076   0.157     4.473   41.905   45.714
LGA    T   119_A      T   119_A     5.356     0    0.099   0.137     6.142   28.810   25.714

# 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):     2.559          2.547                  2.849           64.258   61.497

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    106    2.31    73.894    78.801     4.393

LGA_LOCAL      RMSD:   2.313  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.613  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.559  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.999746 * X  +   0.007312 * Y  +  -0.021330 * Z  +   8.643722
  Y_new =   0.021168 * X  +  -0.021559 * Y  +  -0.999543 * Z  +  19.488724
  Z_new =  -0.007769 * X  +  -0.999741 * Y  +   0.021398 * Z  +  24.490484 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.120423  0.007769 -1.549396   [DEG:  178.7871    0.4451  -88.7738 ]
ZXZ: -0.021336  1.549396 -3.133822   [DEG:   -1.2225   88.7739 -179.5548 ]
 
# END of job
