
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , 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:   109       1_A - 109_A       3.72     3.72
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      32_A - 69_A        1.98     4.39
  LCS_AVERAGE:     25.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      82_A - 100_A       0.99     8.13
  LCS_AVERAGE:     10.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     G     1_A     G     1_A     15   20  109      9   14   17   25   44   61   84   94  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     P     2_A     P     2_A     15   20  109     10   14   14   25   43   64   84   94  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I     3_A     I     3_A     15   20  109     10   14   14   15   30   45   59   78   88  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I     4_A     I     4_A     15   20  109     10   14   14   20   33   50   65   90  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E     5_A     E     5_A     15   20  109     10   14   17   32   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     N     6_A     N     6_A     15   20  109     10   14   15   24   42   64   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     C     7_A     C     7_A     15   20  109     10   14   14   19   29   48   71   92  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     A     8_A     A     8_A     15   20  109     10   14   14   22   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     A     9_A     A     9_A     15   20  109     10   14   20   32   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    10_A     F    10_A     15   20  109     10   14   15   25   41   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    11_A     I    11_A     15   20  109     10   14   14   25   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E    12_A     E    12_A     15   20  109     10   14   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    13_A     K    13_A     15   20  109      7   14   20   32   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    14_A     T    14_A     15   20  109      3    5   20   27   48   63   82   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     M    15_A     M    15_A     15   20  109      6   12   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    16_A     S    16_A      5   20  109      3    4    6   13   42   56   76   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    17_A     K    17_A      5   20  109      3    9   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     Y    18_A     Y    18_A      5   20  109      3    6   19   32   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     A    19_A     A    19_A      5   20  109      4   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    20_A     I    20_A      5   20  109      3    6   12   22   42   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    21_A     T    21_A      5   11  109      4   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    22_A     L    22_A      4   11  109      3    3   13   22   43   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    23_A     S    23_A      3    9  109      3    7   15   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     D    24_A     D    24_A      3    9  109      3    8   19   27   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     G    25_A     G    25_A      5    9  109      3    5   17   26   36   57   79   93  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    26_A     T    26_A      6   15  109      6   14   21   28   43   66   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    27_A     I    27_A      6   15  109      6   13   21   26   42   66   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    28_A     L    28_A      6   15  109      6   13   21   27   42   64   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    29_A     K    29_A      6   22  109      6   14   21   28   42   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    30_A     S    30_A      6   31  109      5   14   21   32   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    31_A     T    31_A      6   37  109      5   12   21   31   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    32_A     I    32_A     11   38  109      6   12   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    33_A     K    33_A     15   38  109      6   11   18   32   48   62   81   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     N    34_A     N    34_A     15   38  109      6   11   23   32   48   62   81   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E    35_A     E    35_A     15   38  109      4   12   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    36_A     T    36_A     16   38  109      4   12   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    37_A     L    37_A     16   38  109      6   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    38_A     K    38_A     16   38  109      6   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    39_A     K    39_A     16   38  109      6   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    40_A     T    40_A     16   38  109      6   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    41_A     F    41_A     16   38  109     10   13   19   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     P    42_A     P    42_A     16   38  109     10   13   18   28   48   65   83   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    43_A     I    43_A     16   38  109     10   13   19   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    44_A     L    44_A     16   38  109     10   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    45_A     K    45_A     16   38  109     10   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     N    46_A     N    46_A     16   38  109     10   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    47_A     L    47_A     16   38  109     10   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    48_A     L    48_A     16   38  109     10   13   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    49_A     K    49_A     16   38  109     10   13   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     D    50_A     D    50_A     16   38  109     10   13   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     Q    51_A     Q    51_A     16   38  109      3   11   15   27   43   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    52_A     I    52_A      4   38  109      3    8   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     P    53_A     P    53_A      4   38  109      3   13   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    54_A     T    54_A      4   38  109      3    7   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     G    55_A     G    55_A      6   38  109      5    9   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    56_A     S    56_A      6   38  109      5   11   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    57_A     S    57_A      6   38  109      5    8   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    58_A     F    58_A      6   38  109      5   12   23   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    59_A     F    59_A      6   38  109      6   11   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    60_A     K    60_A      6   38  109      4   12   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    61_A     L    61_A      5   38  109      3    4   20   26   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     P    62_A     P    62_A      8   38  109      3    8   20   27   46   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     V    63_A     V    63_A      8   38  109      7   14   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     V    64_A     V    64_A      8   38  109      5   14   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    65_A     F    65_A      8   38  109      5   14   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    66_A     F    66_A      8   38  109      7   14   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     R    67_A     R    67_A      8   38  109      7   14   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     V    68_A     V    68_A      8   38  109      5   14   21   35   49   64   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    69_A     T    69_A      8   38  109      7   13   20   35   49   67   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     D    70_A     D    70_A      8   30  109      4    6   13   24   39   60   79   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     N    71_A     N    71_A      8   30  109      7   14   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     V    72_A     V    72_A      8   30  109      7   14   20   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    73_A     I    73_A      8   30  109      7   14   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     V    74_A     V    74_A      8   30  109      3   14   21   31   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    75_A     I    75_A      8   30  109      3   14   21   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    76_A     L    76_A      8   30  109      3   12   21   35   49   59   78   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    77_A     L    77_A      8   30  109      4    8   20   28   49   59   77   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    78_A     T    78_A      4   30  109      5   12   20   33   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     N    79_A     N    79_A      4   30  109      4    7   17   25   45   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E    80_A     E    80_A      4   26  109      4    4   11   24   38   62   81   93  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    81_A     K    81_A     13   26  109     10   14   14   23   34   57   75   90  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E    82_A     E    82_A     19   26  109      3   14   18   25   34   56   75   90  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     N    83_A     N    83_A     19   26  109      8   14   18   25   41   66   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    84_A     I    84_A     19   26  109     10   14   19   32   45   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     I    85_A     I    85_A     19   26  109     10   14   18   25   40   62   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    86_A     L    86_A     19   26  109     10   14   18   25   40   64   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    87_A     S    87_A     19   26  109     10   14   18   31   45   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     M    88_A     M    88_A     19   26  109     10   14   21   32   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    89_A     F    89_A     19   26  109     10   14   18   27   40   66   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E    90_A     E    90_A     19   26  109     10   14   18   25   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L    91_A     L    91_A     19   26  109     10   14   18   29   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    92_A     F    92_A     19   26  109     10   14   19   32   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     S    93_A     S    93_A     19   26  109      6   14   18   23   40   62   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     T    94_A     T    94_A     19   26  109      5   13   17   22   28   47   75   90  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     Q    95_A     Q    95_A     19   26  109      5    8   17   22   34   66   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     F    96_A     F    96_A     19   26  109      6    9   17   24   40   65   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     A    97_A     A    97_A     19   26  109      6   14   18   25   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E    98_A     E    98_A     19   26  109      6   11   18   25   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     K    99_A     K    99_A     19   26  109     10   13   18   25   44   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L   100_A     L   100_A     19   26  109      5   14   18   31   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     A   101_A     A   101_A     11   26  109      5   13   18   32   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     L   102_A     L   102_A     11   26  109      6   13   22   32   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     E   103_A     E   103_A     11   26  109      6   12   23   33   48   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     Y   104_A     Y   104_A     11   26  109      4   12   23   35   49   68   84   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     P   105_A     P   105_A     10   26  109      4    5   13   21   48   68   83   95  104  105  105  105  105  105  107  107  108  108  108  108 
LCS_GDT     R   106_A     R   106_A      3    4  109      3    4    4    5    5    5   30   38   51   76   82   91  103  105  107  107  108  108  108  108 
LCS_GDT     T   107_A     T   107_A      3    4  109      3    7   12   16   25   31   41   53   65   76   90   97  103  105  107  107  108  108  108  108 
LCS_GDT     Y   108_A     Y   108_A      3    4  109      1    3    4    8   10   11   21   25   27   34   49   77   90   96  102  106  108  108  108  108 
LCS_GDT     E   109_A     E   109_A      3    4  109      0    3    4    5   10   11   14   14   17   21   24   28   35   49   58   88   99  102  105  108 
LCS_AVERAGE  LCS_A:  45.32  (  10.53   25.42  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     10     14     23     35     49     68     84     95    104    105    105    105    105    105    107    107    108    108    108    108 
GDT PERCENT_AT   9.17  12.84  21.10  32.11  44.95  62.39  77.06  87.16  95.41  96.33  96.33  96.33  96.33  96.33  98.17  98.17  99.08  99.08  99.08  99.08
GDT RMS_LOCAL    0.21   0.46   1.10   1.52   1.85   2.31   2.59   2.77   2.96   3.00   3.00   3.00   3.00   3.00   3.28   3.28   3.44   3.44   3.44   3.44
GDT RMS_ALL_AT   7.71  12.99   4.14   4.81   4.34   3.81   3.82   3.80   3.81   3.81   3.81   3.81   3.81   3.81   3.75   3.75   3.73   3.73   3.73   3.73

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    70_A      D    70_A
#   possible swapping detected:  E    80_A      E    80_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     4.406     0    0.545   0.545     4.406   40.238   40.238
LGA    P     2_A      P     2_A     4.561     0    0.016   0.245     5.521   32.857   29.320
LGA    I     3_A      I     3_A     6.069     0    0.049   0.706    10.504   22.738   14.405
LGA    I     4_A      I     4_A     4.922     0    0.074   1.200     8.303   36.071   27.857
LGA    E     5_A      E     5_A     2.078     0    0.033   0.095     3.084   63.095   71.376
LGA    N     6_A      N     6_A     4.000     0    0.040   0.050     6.304   41.905   33.571
LGA    C     7_A      C     7_A     4.770     0    0.024   0.038     6.664   38.810   31.667
LGA    A     8_A      A     8_A     2.890     0    0.035   0.038     3.329   63.214   62.000
LGA    A     9_A      A     9_A     1.520     0    0.042   0.038     2.272   72.857   71.238
LGA    F    10_A      F    10_A     3.303     0    0.043   1.166     8.014   55.357   32.121
LGA    I    11_A      I    11_A     2.830     0    0.061   0.072     5.497   65.000   50.536
LGA    E    12_A      E    12_A     1.161     0    0.111   0.129     4.020   79.286   65.767
LGA    K    13_A      K    13_A     2.865     0    0.027   1.285    10.672   54.286   33.862
LGA    T    14_A      T    14_A     3.657     0    0.530   0.455     5.606   46.905   39.660
LGA    M    15_A      M    15_A     2.178     0    0.300   0.900     8.371   59.881   38.393
LGA    S    16_A      S    16_A     3.968     0    0.768   0.676     6.459   52.024   40.397
LGA    K    17_A      K    17_A     1.536     0    0.593   1.222     3.481   69.048   72.540
LGA    Y    18_A      Y    18_A     1.271     0    0.103   1.437    12.868   67.619   29.167
LGA    A    19_A      A    19_A     2.042     0    0.075   0.096     4.598   67.262   60.095
LGA    I    20_A      I    20_A     3.048     0    0.097   0.145    10.274   54.167   32.262
LGA    T    21_A      T    21_A     1.529     0    0.156   0.255     5.434   71.429   54.490
LGA    L    22_A      L    22_A     2.875     0    0.216   1.250     9.822   71.310   40.536
LGA    S    23_A      S    23_A     2.285     0    0.619   0.805     4.463   61.429   54.365
LGA    D    24_A      D    24_A     2.656     0    0.379   1.108     7.315   54.286   37.619
LGA    G    25_A      G    25_A     4.686     0    0.113   0.113     6.105   30.833   30.833
LGA    T    26_A      T    26_A     3.733     0    0.089   0.140     4.341   43.333   41.565
LGA    I    27_A      I    27_A     3.784     0    0.078   1.108     5.358   40.238   46.012
LGA    L    28_A      L    28_A     4.069     0    0.076   1.423     5.039   37.262   42.798
LGA    K    29_A      K    29_A     3.460     0    0.057   1.107    10.879   55.476   33.016
LGA    S    30_A      S    30_A     2.137     0    0.085   0.660     2.900   62.857   63.571
LGA    T    31_A      T    31_A     2.571     0    0.609   0.962     5.853   54.048   49.388
LGA    I    32_A      I    32_A     3.041     0    0.315   1.526     4.423   52.024   50.298
LGA    K    33_A      K    33_A     3.820     0    0.159   1.165     8.691   46.667   33.333
LGA    N    34_A      N    34_A     3.712     0    0.104   0.264     5.604   46.667   36.607
LGA    E    35_A      E    35_A     2.525     0    0.061   1.398     7.451   59.167   45.132
LGA    T    36_A      T    36_A     2.045     0    0.037   1.062     2.898   64.762   63.673
LGA    L    37_A      L    37_A     2.353     0    0.040   0.118     3.163   64.762   61.012
LGA    K    38_A      K    38_A     2.675     0    0.109   0.817     6.710   59.048   42.540
LGA    K    39_A      K    39_A     1.778     0    0.072   0.202     1.994   72.857   77.672
LGA    T    40_A      T    40_A     1.661     0    0.125   0.182     3.244   63.214   66.327
LGA    F    41_A      F    41_A     3.135     0    0.136   1.036     3.757   51.786   54.113
LGA    P    42_A      P    42_A     3.582     0    0.061   0.297     4.651   51.905   45.646
LGA    I    43_A      I    43_A     2.276     0    0.110   0.209     2.713   66.905   62.976
LGA    L    44_A      L    44_A     1.879     0    0.044   0.071     2.357   72.857   68.810
LGA    K    45_A      K    45_A     2.554     0    0.025   0.819     3.294   62.857   59.735
LGA    N    46_A      N    46_A     2.070     0    0.041   0.901     6.258   68.810   51.845
LGA    L    47_A      L    47_A     1.753     0    0.074   0.079     2.170   70.833   69.821
LGA    L    48_A      L    48_A     2.243     0    0.061   1.062     2.734   64.881   66.845
LGA    K    49_A      K    49_A     2.158     0    0.091   0.823     3.137   66.786   64.974
LGA    D    50_A      D    50_A     1.729     0    0.541   0.869     3.615   63.452   69.464
LGA    Q    51_A      Q    51_A     3.070     0    0.095   0.847    11.277   63.333   32.593
LGA    I    52_A      I    52_A     2.842     0    0.065   1.038     9.059   59.762   37.679
LGA    P    53_A      P    53_A     2.828     0    0.365   0.455     3.761   55.595   56.463
LGA    T    54_A      T    54_A     2.540     0    0.059   0.088     4.166   66.905   55.986
LGA    G    55_A      G    55_A     1.609     0    0.727   0.727     3.444   69.286   69.286
LGA    S    56_A      S    56_A     1.689     0    0.074   0.139     5.724   71.429   57.381
LGA    S    57_A      S    57_A     1.794     0    0.056   0.095     5.090   75.476   60.873
LGA    F    58_A      F    58_A     2.243     0    0.094   1.244     9.624   63.452   28.658
LGA    F    59_A      F    59_A     1.645     0    0.070   1.158     9.191   77.738   36.710
LGA    K    60_A      K    60_A     2.943     0    0.503   0.777    10.402   59.524   31.746
LGA    L    61_A      L    61_A     2.544     0    0.563   0.569     8.989   64.881   39.107
LGA    P    62_A      P    62_A     2.743     0    0.071   0.731     4.194   61.190   54.626
LGA    V    63_A      V    63_A     2.836     0    0.115   1.202     5.427   53.571   50.680
LGA    V    64_A      V    64_A     2.852     0    0.050   0.221     3.300   53.571   55.102
LGA    F    65_A      F    65_A     2.485     0    0.151   1.270     7.142   55.476   40.303
LGA    F    66_A      F    66_A     2.379     0    0.050   1.186     4.224   64.762   63.593
LGA    R    67_A      R    67_A     2.188     0    0.111   1.279     7.621   62.857   47.532
LGA    V    68_A      V    68_A     3.423     0    0.662   1.383     5.217   42.381   46.667
LGA    T    69_A      T    69_A     3.249     0    0.304   0.375     6.006   41.190   35.034
LGA    D    70_A      D    70_A     3.970     0    0.588   0.945     6.861   40.714   31.488
LGA    N    71_A      N    71_A     2.599     0    0.089   1.071     6.635   57.143   41.905
LGA    V    72_A      V    72_A     2.606     0    0.095   0.112     2.848   57.143   57.143
LGA    I    73_A      I    73_A     2.515     0    0.192   1.339     4.751   57.143   59.048
LGA    V    74_A      V    74_A     2.644     0    0.145   1.107     5.268   62.857   57.075
LGA    I    75_A      I    75_A     2.062     0    0.108   1.064     2.936   60.952   62.976
LGA    L    76_A      L    76_A     3.883     0    0.090   1.345     4.433   41.905   43.631
LGA    L    77_A      L    77_A     3.968     0    0.136   0.879     4.474   46.667   45.179
LGA    T    78_A      T    78_A     2.261     0    0.083   0.095     2.694   60.952   68.503
LGA    N    79_A      N    79_A     2.907     0    0.692   1.144     5.197   53.690   45.179
LGA    E    80_A      E    80_A     4.435     0    0.289   1.070    12.361   35.952   17.778
LGA    K    81_A      K    81_A     5.119     0    0.602   0.979    11.066   25.238   15.661
LGA    E    82_A      E    82_A     5.038     0    0.461   1.187     8.581   26.310   17.937
LGA    N    83_A      N    83_A     3.770     0    0.091   1.120     4.399   45.119   42.679
LGA    I    84_A      I    84_A     2.633     0    0.043   0.701     4.065   57.143   54.643
LGA    I    85_A      I    85_A     3.637     0    0.077   0.750     6.201   46.667   37.976
LGA    L    86_A      L    86_A     3.822     0    0.051   1.388     4.416   46.667   45.179
LGA    S    87_A      S    87_A     2.564     0    0.040   0.686     2.790   60.952   60.952
LGA    M    88_A      M    88_A     2.561     0    0.069   0.941     7.776   59.048   45.595
LGA    F    89_A      F    89_A     3.340     0    0.035   0.374     5.031   50.000   39.351
LGA    E    90_A      E    90_A     3.154     0    0.034   0.470     3.850   51.786   47.831
LGA    L    91_A      L    91_A     2.379     0    0.208   1.406     5.916   60.952   46.250
LGA    F    92_A      F    92_A     2.468     0    0.078   0.325     3.419   60.952   58.615
LGA    S    93_A      S    93_A     3.846     0    0.075   0.615     5.732   43.452   37.778
LGA    T    94_A      T    94_A     4.404     0    0.079   0.144     5.403   37.262   35.646
LGA    Q    95_A      Q    95_A     3.235     0    0.061   0.329     4.105   50.000   49.365
LGA    F    96_A      F    96_A     3.508     0    0.146   1.275    10.012   50.119   27.879
LGA    A    97_A      A    97_A     2.662     0    0.066   0.064     3.104   57.262   57.238
LGA    E    98_A      E    98_A     2.945     0    0.044   0.162     4.566   57.143   47.513
LGA    K    99_A      K    99_A     2.936     0    0.057   0.793     5.675   59.167   45.556
LGA    L   100_A      L   100_A     2.071     0    0.062   0.098     2.640   68.810   66.845
LGA    A   101_A      A   101_A     2.050     0    0.065   0.066     2.214   64.762   64.762
LGA    L   102_A      L   102_A     2.424     0    0.044   0.061     3.688   64.762   56.607
LGA    E   103_A      E   103_A     1.406     0    0.061   0.373     1.815   79.286   82.540
LGA    Y   104_A      Y   104_A     1.067     0    0.523   0.547     4.940   70.000   60.437
LGA    P   105_A      P   105_A     3.258     0    0.563   0.997     6.082   38.333   41.497
LGA    R   106_A      R   106_A    10.295     0    0.610   1.210    20.236    2.024    0.736
LGA    T   107_A      T   107_A    10.261     0    0.078   0.109    12.010    0.000    0.000
LGA    Y   108_A      Y   108_A    11.909     0    0.272   1.299    15.958    0.000    0.000
LGA    E   109_A      E   109_A    16.009     0    0.600   0.843    20.311    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     3.718          3.739                  5.026           54.184   46.591

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0     95    2.77    57.569    54.950     3.311

LGA_LOCAL      RMSD:   2.769  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.801  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   3.718  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.616642 * X  +  -0.461229 * Y  +  -0.637981 * Z  +  80.560715
  Y_new =   0.780548 * X  +  -0.463675 * Y  +  -0.419226 * Z  + -25.626284
  Z_new =  -0.102457 * X  +  -0.756487 * Y  +   0.645933 * Z  +  -5.149715 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.239417  0.102637 -0.864067   [DEG:  128.3091    5.8807  -49.5074 ]
ZXZ: -0.989437  0.868551 -3.006974   [DEG:  -56.6906   49.7643 -172.2869 ]
 
# END of job
