
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   120      13_A - 132_A       4.88     7.43
  LCS_AVERAGE:     95.50

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       1.49     8.05
  LCS_AVERAGE:     87.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      20_A - 132_A       0.96     8.19
  LCS_AVERAGE:     84.79

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    6   16      0    3    4    5    6    6    8    9   10   12   13   13   13   14   15   17   18   20   24   25 
LCS_GDT     S    11_A     S    11_A      3    6   16      3    3    4    5    6    8    9   11   11   12   13   14   16   19   22   24   26   30   33   34 
LCS_GDT     S    12_A     S    12_A      3    7   16      3    3    4    5    7    8    9   11   11   12   13   14   16   19   22   24   26   32   33   34 
LCS_GDT     G    13_A     G    13_A      5    7  120      3    4    5    6    7    8    9   11   11   12   13   14   16   19   22   24   27   32   33   37 
LCS_GDT     L    14_A     L    14_A      5    7  120      4    4    5    6    7    7    8   10   11   12   13   14   15   19   21   24   30   32   37   45 
LCS_GDT     V    15_A     V    15_A      5    7  120      4    4    5    6    7    8    9   11   16   16   24   28   31   34   38   41   50   62   74   81 
LCS_GDT     P    16_A     P    16_A      5    7  120      4    4    5    6   15   26   30   30   31   33   37   56   67   79   88   95  106  111  115  117 
LCS_GDT     R    17_A     R    17_A      5    7  120      4    4    5    6   26   28   30   31   40   54   65   78   89  101  108  115  116  116  116  117 
LCS_GDT     G    18_A     G    18_A      5  115  120      0    3    6    8   20   27   50   66   86  101  113  115  115  115  115  115  116  116  116  117 
LCS_GDT     S    19_A     S    19_A     20  115  120      1    9   27   43   91  105  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     H    20_A     H    20_A    113  115  120      4   16   68  108  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     M    21_A     M    21_A    113  115  120      6   45  104  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Q    22_A     Q    22_A    113  115  120     16   81  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E    23_A     E    23_A    113  115  120     21   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E    24_A     E    24_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E    25_A     E    25_A    113  115  120     40   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     F    26_A     F    26_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     H    27_A     H    27_A    113  115  120     45   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     K    28_A     K    28_A    113  115  120     25   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    29_A     L    29_A    113  115  120     37   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     A    30_A     A    30_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N    31_A     N    31_A    113  115  120     28   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     F    32_A     F    32_A    113  115  120     28   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     T    33_A     T    33_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I    34_A     I    34_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N    35_A     N    35_A    113  115  120     35   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     H    36_A     H    36_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    37_A     L    37_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    38_A     L    38_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E    39_A     E    39_A    113  115  120     45   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     K    40_A     K    40_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I    41_A     I    41_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E    42_A     E    42_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    43_A     D    43_A    113  115  120     30   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Y    44_A     Y    44_A    113  115  120     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G    45_A     G    45_A    113  115  120     30   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    46_A     D    46_A    113  115  120     30   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N    47_A     N    47_A    113  115  120     38   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     V    48_A     V    48_A    113  115  120      3   14  105  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Q    49_A     Q    49_A    113  115  120      4   28   67   97  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I    50_A     I    50_A    113  115  120      9   72  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    51_A     D    51_A    113  115  120     16   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G    52_A     G    52_A    113  115  120      8   28  102  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     F    53_A     F    53_A    113  115  120      8   66  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    54_A     D    54_A    113  115  120     29   84  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I    55_A     I    55_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    56_A     D    56_A    113  115  120     24   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Y    57_A     Y    57_A    113  115  120     45   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G    58_A     G    58_A    113  115  120      8   64  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N    59_A     N    59_A    113  115  120     14   65  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E    60_A     E    60_A    113  115  120     19   65  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     V    61_A     V    61_A    113  115  120     21   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    62_A     L    62_A    113  115  120     32   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     T    63_A     T    63_A    113  115  120     39   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    64_A     L    64_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     K    65_A     K    65_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    66_A     L    66_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G    67_A     G    67_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     S    68_A     S    68_A    113  115  120     40   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    69_A     L    69_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G    70_A     G    70_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     T    71_A     T    71_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Y    72_A     Y    72_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     V    73_A     V    73_A    113  115  120     29   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L    74_A     L    74_A    113  115  120     20   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N    75_A     N    75_A    113  115  120     20   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     K    76_A     K    76_A    113  115  120     36   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Q    77_A     Q    77_A    113  115  120     32   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     T    78_A     T    78_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     P    79_A     P    79_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N    80_A     N    80_A    113  115  120     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     R    81_A     R    81_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Q    82_A     Q    82_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I    83_A     I    83_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     W    84_A     W    84_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     M    85_A     M    85_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     S    86_A     S    86_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     S    87_A     S    87_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     P    88_A     P    88_A    113  115  120     41   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     V    89_A     V    89_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     S    90_A     S    90_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G    91_A     G    91_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     P    92_A     P    92_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     S    93_A     S    93_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     R    94_A     R    94_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     F    95_A     F    95_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    96_A     D    96_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     W    97_A     W    97_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D    98_A     D    98_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     R    99_A     R    99_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     D   100_A     D   100_A    113  115  120     40   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     A   101_A     A   101_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N   102_A     N   102_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     A   103_A     A   103_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     W   104_A     W   104_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I   105_A     I   105_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Y   106_A     Y   106_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     R   107_A     R   107_A    113  115  120     31   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     R   108_A     R   108_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     T   109_A     T   109_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E   110_A     E   110_A    113  115  120     45   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     A   111_A     A   111_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     K   112_A     K   112_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L   113_A     L   113_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     H   114_A     H   114_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     K   115_A     K   115_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L   116_A     L   116_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L   117_A     L   117_A    113  115  120     16   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E   118_A     E   118_A    113  115  120     26   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E   119_A     E   119_A    113  115  120     25   88  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E   120_A     E   120_A    113  115  120     16   75  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L   121_A     L   121_A    113  115  120     35   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E   122_A     E   122_A    113  115  120     47   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     N   123_A     N   123_A    113  115  120      9   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L   124_A     L   124_A    113  115  120     35   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     C   125_A     C   125_A    113  115  120     28   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     G   126_A     G   126_A    113  115  120     25   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     E   127_A     E   127_A    113  115  120     20   90  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     P   128_A     P   128_A    113  115  120     20   78  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     I   129_A     I   129_A    113  115  120     14   89  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     Q   130_A     Q   130_A    113  115  120      3   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     L   131_A     L   131_A    113  115  120     40   91  106  110  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_GDT     S   132_A     S   132_A    113  115  120      3    3   42   71  111  113  114  114  114  114  114  115  115  115  115  115  116  116  116  117 
LCS_AVERAGE  LCS_A:  89.35  (  84.79   87.77   95.50 )

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     47     91    106    110    111    113    114    114    114    114    114    115    115    115    115    115    116    116    116    117 
GDT PERCENT_AT  38.21  73.98  86.18  89.43  90.24  91.87  92.68  92.68  92.68  92.68  92.68  93.50  93.50  93.50  93.50  93.50  94.31  94.31  94.31  95.12
GDT RMS_LOCAL    0.36   0.60   0.75   0.82   0.86   0.96   1.10   1.10   1.10   1.10   1.10   1.49   1.49   1.49   1.49   1.49   2.05   2.05   2.05   2.60
GDT RMS_ALL_AT   8.23   8.23   8.23   8.22   8.22   8.19   8.14   8.14   8.14   8.14   8.14   8.05   8.05   8.05   8.05   8.05   7.93   7.93   7.93   7.80

# Checking swapping
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    42.661     0    0.050   1.020    49.584    0.000    0.000
LGA    S    11_A      S    11_A    40.354     0    0.640   0.806    40.504    0.000    0.000
LGA    S    12_A      S    12_A    36.543     0    0.052   0.570    38.029    0.000    0.000
LGA    G    13_A      G    13_A    32.772     0    0.344   0.344    34.045    0.000    0.000
LGA    L    14_A      L    14_A    28.964     3    0.155   0.193    30.266    0.000    0.000
LGA    V    15_A      V    15_A    24.209     0    0.062   0.087    27.174    0.000    0.000
LGA    P    16_A      P    16_A    18.785     0    0.020   0.312    20.559    0.000    0.000
LGA    R    17_A      R    17_A    16.075     6    0.437   0.492    16.956    0.000    0.000
LGA    G    18_A      G    18_A    10.963     0    0.578   0.578    12.196    0.714    0.714
LGA    S    19_A      S    19_A     5.756     0    0.302   0.759     7.948   26.429   21.032
LGA    H    20_A      H    20_A     3.306     5    0.461   0.430     3.912   52.024   25.143
LGA    M    21_A      M    21_A     1.879     0    0.026   1.001     2.788   70.833   72.024
LGA    Q    22_A      Q    22_A     1.342     0    0.080   1.144     4.975   86.190   70.847
LGA    E    23_A      E    23_A     0.812     0    0.035   0.188     1.330   90.476   85.450
LGA    E    24_A      E    24_A     0.343     4    0.022   0.024     0.625   97.619   54.497
LGA    E    25_A      E    25_A     0.468     0    0.039   0.684     3.007   97.619   84.233
LGA    F    26_A      F    26_A     0.356     0    0.063   0.085     0.613   95.238   96.537
LGA    H    27_A      H    27_A     1.080     0    0.047   0.074     1.489   83.690   82.333
LGA    K    28_A      K    28_A     1.416     0    0.035   0.838     4.372   81.429   67.831
LGA    L    29_A      L    29_A     0.932     0    0.010   1.387     3.357   88.214   76.905
LGA    A    30_A      A    30_A     0.670     0    0.011   0.012     0.842   90.476   90.476
LGA    N    31_A      N    31_A     1.133     0    0.055   0.220     1.311   83.690   82.560
LGA    F    32_A      F    32_A     1.110     0    0.015   1.321     6.926   85.952   56.537
LGA    T    33_A      T    33_A     0.882     0    0.028   0.065     1.085   90.476   87.891
LGA    I    34_A      I    34_A     0.748     0    0.020   0.641     2.675   90.476   86.310
LGA    N    35_A      N    35_A     0.977     0    0.016   0.889     4.568   90.476   71.012
LGA    H    36_A      H    36_A     0.877     0    0.044   0.082     1.256   90.476   87.762
LGA    L    37_A      L    37_A     0.535     0    0.019   0.048     0.619   92.857   96.429
LGA    L    38_A      L    38_A     0.459     0    0.077   0.098     0.607   95.238   97.619
LGA    E    39_A      E    39_A     0.509     0    0.014   0.627     3.211   90.476   80.317
LGA    K    40_A      K    40_A     0.858     0    0.042   0.497     1.825   90.476   87.619
LGA    I    41_A      I    41_A     0.843     0    0.113   0.156     1.018   88.214   89.345
LGA    E    42_A      E    42_A     0.809     0    0.026   0.182     0.909   90.476   91.534
LGA    D    43_A      D    43_A     0.881     0    0.012   0.129     1.282   90.476   88.214
LGA    Y    44_A      Y    44_A     0.580     0    0.022   1.355     8.398   90.476   56.508
LGA    G    45_A      G    45_A     0.840     0    0.088   0.088     0.868   90.476   90.476
LGA    D    46_A      D    46_A     0.615     0    0.058   0.161     0.736   90.476   94.048
LGA    N    47_A      N    47_A     0.713     0    0.084   0.510     1.365   88.214   87.083
LGA    V    48_A      V    48_A     1.670     0    0.194   0.449     2.827   75.000   69.524
LGA    Q    49_A      Q    49_A     2.829     0    0.181   0.861     5.820   60.952   42.910
LGA    I    50_A      I    50_A     1.427     0    0.095   0.616     2.412   77.143   77.262
LGA    D    51_A      D    51_A     1.173     0    0.597   1.021     5.371   69.762   57.679
LGA    G    52_A      G    52_A     2.189     0    0.612   0.612     3.537   61.429   61.429
LGA    F    53_A      F    53_A     1.568     0    0.162   0.362     2.907   68.929   69.221
LGA    D    54_A      D    54_A     1.205     0    0.117   0.940     4.595   85.952   68.512
LGA    I    55_A      I    55_A     0.591     0    0.096   1.126     3.257   90.476   82.024
LGA    D    56_A      D    56_A     1.260     0    0.070   0.831     4.096   90.595   72.440
LGA    Y    57_A      Y    57_A     0.239     0    0.050   0.150     2.570   95.238   81.270
LGA    G    58_A      G    58_A     1.569     0    0.138   0.138     1.578   79.405   79.405
LGA    N    59_A      N    59_A     1.325     0    0.017   0.995     2.865   81.429   76.310
LGA    E    60_A      E    60_A     1.276     0    0.023   0.232     1.340   81.429   84.444
LGA    V    61_A      V    61_A     0.900     0    0.054   1.166     2.755   88.214   79.660
LGA    L    62_A      L    62_A     0.599     0    0.041   0.104     0.792   90.476   90.476
LGA    T    63_A      T    63_A     0.483     0    0.061   0.091     1.117  100.000   94.626
LGA    L    64_A      L    64_A     0.260     0    0.044   0.083     0.405  100.000  100.000
LGA    K    65_A      K    65_A     0.436     0    0.017   1.108     5.378  100.000   80.212
LGA    L    66_A      L    66_A     0.280     0    0.013   0.119     0.749  100.000   96.429
LGA    G    67_A      G    67_A     0.296     0    0.056   0.056     0.354  100.000  100.000
LGA    S    68_A      S    68_A     0.686     0    0.078   0.078     1.436   95.238   90.635
LGA    L    69_A      L    69_A     0.328     0    0.089   0.103     0.786   97.619   98.810
LGA    G    70_A      G    70_A     0.353     0    0.054   0.054     0.379  100.000  100.000
LGA    T    71_A      T    71_A     0.266     0    0.023   0.028     0.442  100.000  100.000
LGA    Y    72_A      Y    72_A     0.293     0    0.069   0.176     2.312   95.238   84.008
LGA    V    73_A      V    73_A     0.649     0    0.049   0.058     0.909   95.238   93.197
LGA    L    74_A      L    74_A     0.748     0    0.007   0.874     2.573   90.476   84.107
LGA    N    75_A      N    75_A     0.748     0    0.059   0.401     1.432   90.476   90.536
LGA    K    76_A      K    76_A     0.459     0    0.071   0.650     1.718   95.238   87.672
LGA    Q    77_A      Q    77_A     0.589     0    0.063   1.079     3.854   95.238   81.481
LGA    T    78_A      T    78_A     0.282     0    0.042   0.042     0.953   97.619   94.558
LGA    P    79_A      P    79_A     0.958     0    0.016   0.021     1.430   88.214   86.599
LGA    N    80_A      N    80_A     0.387     0    0.138   0.140     1.290  100.000   91.845
LGA    R    81_A      R    81_A     0.053     0    0.039   0.889     3.485  100.000   78.398
LGA    Q    82_A      Q    82_A     0.105     0    0.054   0.313     0.922  100.000   97.884
LGA    I    83_A      I    83_A     0.185     0    0.016   0.030     0.241  100.000  100.000
LGA    W    84_A      W    84_A     0.371     0    0.055   0.147     0.614   97.619   96.599
LGA    M    85_A      M    85_A     0.391     0    0.019   0.219     1.015  100.000   94.107
LGA    S    86_A      S    86_A     0.087     0    0.072   0.111     0.375  100.000  100.000
LGA    S    87_A      S    87_A     0.229     0    0.070   0.096     0.442  100.000  100.000
LGA    P    88_A      P    88_A     0.616     0    0.042   0.065     0.811   90.476   90.476
LGA    V    89_A      V    89_A     0.631     0    0.041   0.109     1.143   92.857   89.252
LGA    S    90_A      S    90_A     0.678     0    0.032   0.602     2.013   90.476   86.190
LGA    G    91_A      G    91_A     0.601     0    0.110   0.110     0.662   92.857   92.857
LGA    P    92_A      P    92_A     0.508     0    0.019   0.052     0.695   97.619   94.558
LGA    S    93_A      S    93_A     0.429     0    0.029   0.091     0.466  100.000  100.000
LGA    R    94_A      R    94_A     0.424     0    0.083   0.181     1.151  100.000   92.294
LGA    F    95_A      F    95_A     0.361     0    0.073   0.126     0.428  100.000  100.000
LGA    D    96_A      D    96_A     0.598     0    0.070   0.836     2.543   90.476   80.893
LGA    W    97_A      W    97_A     0.683     0    0.093   0.192     0.953   95.238   91.837
LGA    D    98_A      D    98_A     0.638     0    0.071   0.335     1.497   90.476   89.345
LGA    R    99_A      R    99_A     0.662     0    0.110   1.218     8.131   88.214   58.355
LGA    D   100_A      D   100_A     0.586     0    0.018   0.301     1.279   92.857   90.536
LGA    A   101_A      A   101_A     0.567     0    0.025   0.028     0.724   92.857   92.381
LGA    N   102_A      N   102_A     0.403     0    0.029   1.348     4.201   97.619   78.512
LGA    A   103_A      A   103_A     0.467     0    0.077   0.108     0.597   97.619   96.190
LGA    W   104_A      W   104_A     0.541     0    0.028   0.128     0.770   92.857   91.837
LGA    I   105_A      I   105_A     0.387     0    0.065   0.150     1.107  100.000   96.488
LGA    Y   106_A      Y   106_A     0.186     0    0.034   0.076     0.570   97.619   99.206
LGA    R   107_A      R   107_A     1.085     0    0.017   0.513     2.325   88.214   79.351
LGA    R   108_A      R   108_A     0.292     0    0.032   1.185     5.660  100.000   68.745
LGA    T   109_A      T   109_A     0.350     0    0.017   0.081     0.750  100.000   95.918
LGA    E   110_A      E   110_A     0.441     0    0.019   0.238     1.074   97.619   93.704
LGA    A   111_A      A   111_A     0.399     0    0.034   0.042     0.477  100.000  100.000
LGA    K   112_A      K   112_A     0.840     0    0.013   0.091     1.352   90.476   86.455
LGA    L   113_A      L   113_A     0.934     0    0.011   0.047     1.040   90.476   89.345
LGA    H   114_A      H   114_A     0.888     0    0.035   1.069     6.392   88.214   60.333
LGA    K   115_A      K   115_A     1.011     0    0.079   0.972     6.621   83.690   63.915
LGA    L   116_A      L   116_A     1.105     0    0.008   1.374     3.010   81.429   75.417
LGA    L   117_A      L   117_A     1.020     0    0.032   0.153     1.360   83.690   85.952
LGA    E   118_A      E   118_A     1.064     0    0.044   0.156     1.417   83.690   87.460
LGA    E   119_A      E   119_A     1.213     0    0.012   1.149     4.428   81.429   70.159
LGA    E   120_A      E   120_A     1.378     0    0.030   0.335     1.916   81.429   77.619
LGA    L   121_A      L   121_A     0.944     0    0.046   0.090     1.270   88.214   88.214
LGA    E   122_A      E   122_A     0.490     0    0.019   0.824     3.434   92.857   79.365
LGA    N   123_A      N   123_A     0.903     0    0.003   0.095     1.935   90.476   83.810
LGA    L   124_A      L   124_A     0.895     0    0.035   1.117     3.266   90.476   79.881
LGA    C   125_A      C   125_A     0.908     0    0.063   0.695     3.907   88.214   79.603
LGA    G   126_A      G   126_A     0.760     0    0.070   0.070     0.881   90.476   90.476
LGA    E   127_A      E   127_A     1.004     0    0.018   0.816     2.874   83.690   81.746
LGA    P   128_A      P   128_A     1.208     0    0.112   0.146     1.269   81.429   84.014
LGA    I   129_A      I   129_A     1.038     0    0.130   0.992     4.025   88.214   76.488
LGA    Q   130_A      Q   130_A     0.829     0    0.099   0.851     2.886   88.214   78.942
LGA    L   131_A      L   131_A     0.785     0    0.512   0.491     1.096   88.214   88.214
LGA    S   132_A      S   132_A     3.004     0    0.650   0.635     4.712   61.429   51.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     7.243          7.154                  6.992           82.987   77.084

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    1.10    87.398    89.205     9.477

LGA_LOCAL      RMSD:   1.103  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.142  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   7.243  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.915085 * X  +  -0.239451 * Y  +  -0.324473 * Z  +  19.646954
  Y_new =   0.396301 * X  +  -0.385146 * Y  +  -0.833432 * Z  + -65.485680
  Z_new =   0.074596 * X  +  -0.891250 * Y  +   0.447335 * Z  +  12.366405 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.732902 -0.074666 -1.105615   [DEG:  156.5837   -4.2780  -63.3470 ]
ZXZ: -0.371267  1.107013  3.058089   [DEG:  -21.2720   63.4271  175.2156 ]
 
# END of job
