
#######################################################
#                                                     #
#                        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       2.36     2.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96      22_A - 117_A       2.00     2.59
  LCS_AVERAGE:     84.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63       7_A - 69_A        0.98     5.03
  LCS_AVERAGE:     51.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_A     E     7_A     63   86  113     26   47   62   74   80   90   99  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     63   86  113     33   48   65   74   83   95  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     63   86  113     23   46   60   70   77   89   93  103  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     63   86  113     30   47   62   74   78   89   99  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     63   86  113     33   47   63   74   80   90  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     63   86  113     33   48   64   74   80   95  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     63   94  113     33   48   67   74   86   96  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     63   94  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     63   96  113     16   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     63   96  113     12   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     63   96  113     22   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     63   96  113     29   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     63   96  113     30   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     63   96  113     30   47   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     63   96  113     12   47   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     63   96  113      3    6   39   68   73   89  101  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     63   96  113     21   44   65   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     63   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     63   96  113     25   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     63   96  113     25   47   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     63   96  113     25   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     63   96  113     29   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     63   96  113     27   47   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     63   96  113     30   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     63   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     63   96  113     27   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     63   96  113     27   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     63   96  113     29   48   67   74   85   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     63   96  113     29   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     63   96  113     33   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     63   96  113     25   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     63   96  113     21   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     63   96  113     29   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     63   96  113     25   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     63   96  113     25   48   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     63   96  113     25   46   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     61   96  113     25   46   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     61   96  113     25   46   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     55   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     53   96  113     22   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     53   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     53   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     53   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     53   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     53   96  113     25   47   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     53   96  113     25   47   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     53   96  113     25   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     53   96  113     25   44   65   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     53   96  113     21   43   59   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     53   96  113     21   44   59   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     53   96  113     21   44   59   73   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     53   96  113     23   44   59   73   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     53   96  113     23   44   59   70   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     53   96  113     19   44   59   70   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     53   96  113      4   43   59   70   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     53   96  113      3   30   59   69   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     53   96  113     21   44   59   68   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     53   96  113     23   44   59   68   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     53   96  113     23   42   59   68   81   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     53   96  113     23   33   57   68   73   84   99  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     53   96  113     16   33   57   68   73   84  100  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     53   96  113     23   42   59   68   81   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     53   96  113     23   42   59   68   85   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     53   96  113     23   44   59   69   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     53   96  113     23   44   59   69   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     53   96  113     23   43   59   70   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     53   96  113     23   33   56   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     53   96  113     17   33   43   65   81   92  101  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     53   96  113     23   39   67   74   84   95  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     53   96  113     18   44   67   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     53   96  113     23   43   59   74   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     53   96  113     23   44   59   73   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     53   96  113     23   44   59   69   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     53   96  113     23   44   59   68   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     53   96  113     23   44   59   68   87   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     53   96  113     21   42   59   68   78   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     53   96  113     18   33   57   68   73   84  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     53   96  113     18   34   57   68   73   87  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     53   96  113     23   41   59   68   75   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     53   96  113     23   44   59   68   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     53   96  113     23   42   59   68   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     53   96  113     23   43   59   69   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     53   96  113     23   42   59   68   89   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     53   96  113     23   42   59   68   85   97  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     53   93  113     23   35   57   68   73   89  102  107  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     53   93  113     17   32   39   57   70   76   81   98  107  112  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  78.76  (  51.98   84.30  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     33     48     67     74     89     97    102    107    110    112    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  29.20  42.48  59.29  65.49  78.76  85.84  90.27  94.69  97.35  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.58   0.98   1.09   1.73   1.93   2.03   2.15   2.24   2.32   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36
GDT RMS_ALL_AT   5.65   4.85   3.77   3.91   2.47   2.39   2.38   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36   2.36

# 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     3.915     0    0.069   0.947     4.300   43.333   47.460
LGA    C     8_A      C     8_A     3.304     0    0.028   0.066     3.857   46.667   51.429
LGA    A     9_A      A     9_A     4.976     0    0.056   0.067     5.620   31.548   29.524
LGA    S    10_A      S    10_A     4.620     0    0.020   0.143     4.680   34.286   34.286
LGA    N    11_A      N    11_A     3.846     0    0.012   1.024     4.126   41.786   46.071
LGA    P    12_A      P    12_A     3.353     0    0.058   0.086     3.405   53.571   53.061
LGA    C    13_A      C    13_A     2.271     0    0.047   0.046     2.718   60.952   63.571
LGA    L    14_A      L    14_A     2.377     0    0.008   0.127     3.214   66.786   62.024
LGA    N    15_A      N    15_A     2.119     0    0.044   0.137     2.318   66.786   68.810
LGA    Q    16_A      Q    16_A     2.192     0    0.025   1.182     5.748   64.762   55.185
LGA    G    17_A      G    17_A     2.098     0    0.091   0.091     2.444   64.762   64.762
LGA    T    18_A      T    18_A     1.824     0    0.100   1.138     3.727   75.000   67.619
LGA    C    19_A      C    19_A     2.090     0    0.059   0.065     2.340   66.786   66.111
LGA    I    20_A      I    20_A     1.408     0    0.033   0.512     1.518   79.286   82.619
LGA    D    21_A      D    21_A     1.670     0    0.023   0.792     4.979   77.143   64.107
LGA    D    22_A      D    22_A     1.004     0    0.029   0.860     3.808   81.429   71.726
LGA    V    23_A      V    23_A     1.233     0    0.131   0.131     2.038   77.262   77.823
LGA    A    24_A      A    24_A     1.160     0    0.486   0.478     3.009   73.690   73.524
LGA    G    25_A      G    25_A     1.397     0    0.133   0.133     1.489   81.429   81.429
LGA    Y    26_A      Y    26_A     1.851     0    0.024   0.131     3.384   70.833   62.460
LGA    K    27_A      K    27_A     1.117     0    0.036   0.305     1.725   81.429   80.529
LGA    C    28_A      C    28_A     0.969     0    0.044   0.046     1.570   92.857   87.619
LGA    N    29_A      N    29_A     0.687     0    0.020   1.103     2.371   88.214   84.107
LGA    C    30_A      C    30_A     0.553     0    0.068   0.085     0.778   90.476   92.063
LGA    L    31_A      L    31_A     1.257     0    0.084   0.238     1.960   81.429   79.286
LGA    L    32_A      L    32_A     1.553     0    0.029   0.092     2.550   72.976   69.940
LGA    P    33_A      P    33_A     1.121     0    0.092   0.120     1.498   85.952   84.014
LGA    Y    34_A      Y    34_A     0.231     0    0.040   0.074     1.172  100.000   91.389
LGA    T    35_A      T    35_A     0.597     0    0.050   0.086     0.999   90.476   90.476
LGA    G    36_A      G    36_A     1.258     0    0.019   0.019     1.586   79.286   79.286
LGA    A    37_A      A    37_A     1.776     0    0.061   0.059     2.216   72.857   71.238
LGA    T    38_A      T    38_A     1.710     0    0.040   0.116     2.568   75.000   70.680
LGA    C    39_A      C    39_A     1.059     0    0.018   0.052     1.231   81.429   81.429
LGA    E    40_A      E    40_A     1.628     0    0.075   0.275     2.293   79.286   71.217
LGA    V    41_A      V    41_A     1.112     0    0.060   0.066     1.670   85.952   82.789
LGA    V    42_A      V    42_A     0.127     0    0.024   1.082     2.449   97.619   88.571
LGA    L    43_A      L    43_A     1.026     0    0.069   0.066     1.314   83.690   82.560
LGA    A    44_A      A    44_A     1.332     0    0.038   0.044     1.704   77.143   78.000
LGA    P    45_A      P    45_A     1.794     0    0.051   0.074     2.067   70.833   71.701
LGA    C    46_A      C    46_A     2.299     0    0.024   0.040     2.521   62.857   63.492
LGA    A    47_A      A    47_A     2.039     0    0.637   0.605     2.891   64.881   63.333
LGA    P    48_A      P    48_A     4.426     0    0.199   0.311     6.512   36.667   34.898
LGA    S    49_A      S    49_A     2.713     0    0.175   0.573     4.275   59.048   53.889
LGA    P    50_A      P    50_A     2.565     0    0.064   0.072     2.607   59.048   58.231
LGA    C    51_A      C    51_A     2.632     0    0.125   0.156     3.306   55.357   57.222
LGA    R    52_A      R    52_A     2.357     0    0.022   1.008     3.683   64.762   62.814
LGA    N    53_A      N    53_A     2.296     0    0.048   0.185     2.351   64.762   64.762
LGA    G    54_A      G    54_A     2.514     0    0.040   0.040     2.514   62.857   62.857
LGA    G    55_A      G    55_A     2.246     0    0.051   0.051     2.533   62.857   62.857
LGA    E    56_A      E    56_A     2.571     0    0.008   1.135     7.168   62.857   42.910
LGA    C    57_A      C    57_A     2.465     0    0.048   0.056     2.526   60.952   60.952
LGA    R    58_A      R    58_A     2.371     0    0.046   1.270     5.583   64.762   56.840
LGA    Q    59_A      Q    59_A     2.018     0    0.018   0.862     3.434   64.762   59.894
LGA    S    60_A      S    60_A     2.488     0    0.017   0.106     2.633   64.762   63.492
LGA    E    61_A      E    61_A     2.645     0    0.023   0.746     4.236   60.952   54.233
LGA    D    62_A      D    62_A     2.252     0    0.041   0.322     3.006   62.857   61.964
LGA    Y    63_A      Y    63_A     1.958     0    0.047   0.114     2.185   70.833   71.508
LGA    E    64_A      E    64_A     2.068     0    0.027   0.917     4.633   64.762   60.212
LGA    S    65_A      S    65_A     2.498     0    0.063   0.098     2.858   64.762   62.222
LGA    F    66_A      F    66_A     2.297     0    0.026   0.137     2.424   64.762   64.762
LGA    S    67_A      S    67_A     1.966     0    0.044   0.071     2.295   66.786   67.460
LGA    C    68_A      C    68_A     1.935     0    0.025   0.040     2.105   72.857   71.508
LGA    V    69_A      V    69_A     1.915     0    0.021   0.046     2.111   70.833   68.231
LGA    C    70_A      C    70_A     1.862     0    0.033   0.040     1.895   72.857   72.857
LGA    P    71_A      P    71_A     1.945     0    0.010   0.060     2.069   72.857   70.544
LGA    T    72_A      T    72_A     1.602     0    0.016   0.034     1.852   72.857   72.857
LGA    G    73_A      G    73_A     1.226     0    0.029   0.029     1.347   81.429   81.429
LGA    W    74_A      W    74_A     1.583     0    0.049   0.079     2.197   79.286   70.068
LGA    Q    75_A      Q    75_A     1.353     0    0.028   0.346     1.825   79.286   80.529
LGA    G    76_A      G    76_A     1.389     0    0.042   0.042     1.748   77.143   77.143
LGA    Q    77_A      Q    77_A     1.534     0    0.011   0.187     1.880   75.000   77.619
LGA    T    78_A      T    78_A     2.036     0    0.017   0.066     2.149   66.786   65.918
LGA    C    79_A      C    79_A     1.943     0    0.016   0.061     2.079   70.833   68.810
LGA    E    80_A      E    80_A     1.973     0    0.052   0.957     6.872   72.857   52.434
LGA    V    81_A      V    81_A     1.658     0    0.050   0.051     1.718   72.857   74.082
LGA    D    82_A      D    82_A     1.880     0    0.053   0.108     2.423   72.857   68.810
LGA    I    83_A      I    83_A     1.021     0    0.048   0.050     1.344   85.952   88.214
LGA    N    84_A      N    84_A     1.081     0    0.035   0.071     1.788   85.952   82.619
LGA    E    85_A      E    85_A     0.539     0    0.035   0.061     0.855   90.476   93.651
LGA    C    86_A      C    86_A     1.143     0    0.083   0.091     1.273   83.690   82.937
LGA    V    87_A      V    87_A     1.143     0    0.035   0.044     1.354   81.429   81.429
LGA    L    88_A      L    88_A     1.128     0    0.459   0.349     4.110   77.262   63.036
LGA    S    89_A      S    89_A     1.964     0    0.365   0.728     4.915   68.810   60.635
LGA    P    90_A      P    90_A     2.114     0    0.141   0.214     2.396   64.762   64.762
LGA    C    91_A      C    91_A     2.298     0    0.040   0.066     2.733   60.952   63.571
LGA    R    92_A      R    92_A     3.584     0    0.026   1.377     7.208   45.000   37.965
LGA    H    93_A      H    93_A     4.748     0    0.060   0.102     5.484   32.857   29.905
LGA    G    94_A      G    94_A     4.594     0    0.097   0.097     4.594   34.286   34.286
LGA    A    95_A      A    95_A     3.271     0    0.036   0.045     3.712   48.333   50.095
LGA    S    96_A      S    96_A     2.979     0    0.079   0.108     3.128   55.357   54.762
LGA    C    97_A      C    97_A     1.783     0    0.023   0.044     2.169   68.810   71.587
LGA    Q    98_A      Q    98_A     1.745     0    0.011   0.074     2.764   75.000   70.265
LGA    N    99_A      N    99_A     1.886     0    0.063   0.220     3.271   66.905   65.000
LGA    T   100_A      T   100_A     2.717     0    0.011   0.081     3.009   57.262   59.388
LGA    H   101_A      H   101_A     3.899     0    0.026   1.158     7.739   41.786   30.857
LGA    G   102_A      G   102_A     3.302     0    0.113   0.113     3.350   51.786   51.786
LGA    G   103_A      G   103_A     2.266     0    0.037   0.037     2.571   69.048   69.048
LGA    Y   104_A      Y   104_A     0.950     0    0.051   0.109     1.835   88.214   86.786
LGA    R   105_A      R   105_A     0.604     0    0.032   1.270     6.719   88.214   66.320
LGA    C   106_A      C   106_A     1.226     0    0.054   0.099     1.534   83.690   80.079
LGA    H   107_A      H   107_A     1.892     0    0.035   1.123     3.006   66.905   65.000
LGA    C   108_A      C   108_A     2.337     0    0.008   0.066     2.686   60.952   63.571
LGA    Q   109_A      Q   109_A     3.313     0    0.024   0.674     6.512   51.786   41.429
LGA    A   110_A      A   110_A     3.856     0    0.021   0.022     4.479   41.786   40.857
LGA    G   111_A      G   111_A     3.742     0    0.152   0.152     3.742   43.333   43.333
LGA    Y   112_A      Y   112_A     3.378     0    0.036   0.073     6.405   55.476   38.016
LGA    S   113_A      S   113_A     2.251     0    0.037   0.095     2.848   60.952   60.952
LGA    G   114_A      G   114_A     2.410     0    0.029   0.029     2.410   70.952   70.952
LGA    R   115_A      R   115_A     1.887     0    0.012   0.631     4.345   72.976   63.939
LGA    N   116_A      N   116_A     2.315     0    0.020   0.289     2.960   60.952   61.964
LGA    C   117_A      C   117_A     2.853     0    0.025   0.055     3.605   51.905   54.921
LGA    E   118_A      E   118_A     3.927     0    0.055   0.117     4.700   38.810   42.804
LGA    T   119_A      T   119_A     5.243     0    0.089   0.156     5.744   28.810   27.007

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.357          2.362                  2.628           67.557   65.114

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    107    2.15    75.664    82.808     4.753

LGA_LOCAL      RMSD:   2.151  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.365  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.357  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.614994 * X  +  -0.439523 * Y  +   0.654677 * Z  +   7.383006
  Y_new =   0.345283 * X  +  -0.896523 * Y  +  -0.277534 * Z  +  23.325697
  Z_new =   0.708916 * X  +   0.055367 * Y  +   0.703116 * Z  +  25.218126 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.630007 -0.787960  0.078584   [DEG:  150.6883  -45.1468    4.5025 ]
ZXZ:  1.169837  0.791026  1.492853   [DEG:   67.0267   45.3224   85.5342 ]
 
# END of job
