
#######################################################
#                                                     #
#                        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  139 ( 1107),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  118 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      21_B - 135_B       4.91     5.65
  LONGEST_CONTINUOUS_SEGMENT:   115      22_B - 136_B       4.94     5.63
  LONGEST_CONTINUOUS_SEGMENT:   115      23_B - 137_B       4.93     5.63
  LCS_AVERAGE:     96.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      31_B - 129_B       1.98     5.99
  LCS_AVERAGE:     73.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      73_B - 99_B        0.98     6.30
  LONGEST_CONTINUOUS_SEGMENT:    27      74_B - 100_B       0.99     6.35
  LCS_AVERAGE:     13.86

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
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     M    21_B     M    21_B      3    4  115      3    3    3    3    3    4    6    6    7    9   13   14   14   19   23   30   34   43   46   58 
LCS_GDT     A    22_B     A    22_B      3    5  115      3    3    3    4    5    5    6    6    8    9   14   16   20   20   32   38   98   99  106  108 
LCS_GDT     S    23_B     S    23_B      3    5  115      3    3    6    7    8   11   22   29   41   78  101  102  105  107  107  108  108  108  110  110 
LCS_GDT     M    24_B     M    24_B      3    6  115      3    3    5    6    7    8   12   18   29   37   48   76  105  107  107  108  108  108  110  110 
LCS_GDT     Y    25_B     Y    25_B      3    6  115      0    3    5    6    7    8    9   17   37   69   98  102  105  107  107  108  108  108  110  110 
LCS_GDT     A    26_B     A    26_B      3    6  115      2    5   23   51   69   87   91   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    27_B     K    27_B      3    6  115      3    3    5    6   40   78   90   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     H    28_B     H    28_B      3    9  115      3    3    5   23   31   57   77   90   96   99  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     S    29_B     S    29_B      4   98  115      3    4   10   16   45   57   75   91   95  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     A    30_B     A    30_B      4   98  115      3    3    6    8   11   28   55   80   92   97  101  104  105  107  107  108  108  108  110  110 
LCS_GDT     Q    31_B     Q    31_B      4   99  115      3    4    7   39   54   73   86   93   95   99  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     N    32_B     N    32_B      4   99  115     12   36   63   80   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Y    33_B     Y    33_B     12   99  115      2   30   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Q    34_B     Q    34_B     12   99  115      5   35   64   79   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     P    35_B     P    35_B     12   99  115      7   42   64   80   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    36_B     L    36_B     12   99  115      3   19   57   79   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    37_B     L    37_B     12   99  115      0   14   40   59   75   88   93   95   97  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     P    38_B     P    38_B     12   99  115      5   42   64   80   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     G    39_B     G    39_B     12   99  115      7   42   66   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I    40_B     I    40_B     12   99  115     10   31   64   80   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    41_B     K    41_B     12   99  115     14   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I    42_B     I    42_B     12   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    43_B     K    43_B     12   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     T    44_B     T    44_B     12   99  115      9   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    45_B     L    45_B      5   99  115      4    5   14   34   50   71   84   93   96  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V    46_B     V    46_B      5   99  115      4   13   39   61   79   89   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Y    47_B     Y    47_B      8   99  115     10   45   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     G    48_B     G    48_B      9   99  115      5    8   48   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E    49_B     E    49_B      9   99  115      3    8   52   79   90   91   92   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    50_B     L    50_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     T    51_B     T    51_B     19   99  115     15   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    52_B     L    52_B     19   99  115     14   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     M    53_B     M    53_B     19   99  115     11   44   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     T    54_B     T    54_B     19   99  115     13   44   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E    55_B     E    55_B     19   99  115     15   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     F    56_B     F    56_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V    57_B     V    57_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     M    58_B     M    58_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     D    59_B     D    59_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    60_B     K    60_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     G    61_B     G    61_B     19   99  115      7   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     S    62_B     S    62_B     19   99  115      4   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     S    63_B     S    63_B     19   99  115     15   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    64_B     L    64_B     19   99  115     12   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     P    65_B     P    65_B     19   99  115      7   41   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     D    66_B     D    66_B     19   99  115     15   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     H    67_B     H    67_B     19   99  115      8   45   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     T    68_B     T    68_B     19   99  115     13   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     H    69_B     H    69_B     16   99  115      7   36   64   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     P    70_B     P    70_B     16   99  115      8   38   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Y    71_B     Y    71_B     16   99  115      4   21   62   81   89   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E    72_B     E    72_B     25   99  115     10   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Q    73_B     Q    73_B     27   99  115     12   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     T    74_B     T    74_B     27   99  115     14   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     G    75_B     G    75_B     27   99  115      7   28   59   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Y    76_B     Y    76_B     27   99  115      7   42   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    77_B     L    77_B     27   99  115     17   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V    78_B     V    78_B     27   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     S    79_B     S    79_B     27   99  115     18   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     G    80_B     G    80_B     27   99  115      6   37   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    81_B     K    81_B     27   99  115     10   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I    82_B     I    82_B     27   99  115     13   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I    83_B     I    83_B     27   99  115     17   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L    84_B     L    84_B     27   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Y    85_B     Y    85_B     27   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I    86_B     I    86_B     27   99  115     18   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E    87_B     E    87_B     27   99  115     14   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     D    88_B     D    88_B     27   99  115     14   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    89_B     K    89_B     27   99  115     14   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K    90_B     K    90_B     27   99  115     14   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Q    91_B     Q    91_B     27   99  115     18   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Q    92_B     Q    92_B     27   99  115     14   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I    93_B     I    93_B     27   99  115      5   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     M    94_B     M    94_B     27   99  115      8   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     A    95_B     A    95_B     27   99  115      9   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     G    96_B     G    96_B     27   99  115      7   35   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     D    97_B     D    97_B     27   99  115      6   31   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     S    98_B     S    98_B     27   99  115      7   36   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     W    99_B     W    99_B     27   99  115     13   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     C   100_B     C   100_B     27   99  115     13   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I   101_B     I   101_B     26   99  115     13   45   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     P   102_B     P   102_B     20   99  115     13   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K   103_B     K   103_B     17   99  115     10   38   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     N   104_B     N   104_B     17   99  115      3   38   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V   105_B     V   105_B     19   99  115     15   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     H   106_B     H   106_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     H   107_B     H   107_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     H   108_B     H   108_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     A   109_B     A   109_B     19   99  115      4   31   67   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E   110_B     E   110_B     19   99  115      6   31   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I   111_B     I   111_B     19   99  115      7   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     L   112_B     L   112_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E   113_B     E   113_B     19   99  115     17   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     N   114_B     N   114_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     S   115_B     S   115_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V   116_B     V   116_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     A   117_B     A   117_B     19   99  115     14   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V   118_B     V   118_B     19   99  115     15   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E   119_B     E   119_B     19   99  115     19   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     V   120_B     V   120_B     19   99  115     17   47   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     F   121_B     F   121_B     19   99  115      9   46   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     A   122_B     A   122_B     19   99  115     12   44   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     P   123_B     P   123_B     19   99  115      9   40   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     T   124_B     T   124_B     13   99  115      3    7   35   64   83   90   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     R   125_B     R   125_B     13   99  115     10   38   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E   126_B     E   126_B      5   99  115      9   36   69   81   90   91   93   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     E   127_B     E   127_B      5   99  115      4   11   23   38   58   81   88   96   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     Y   128_B     Y   128_B      5   99  115      4    7   16   33   55   72   87   95   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     I   129_B     I   129_B      5   99  115      4    7   23   42   63   77   90   95   98  100  102  104  105  107  107  108  108  108  110  110 
LCS_GDT     K   130_B     K   130_B      5   91  115      4    4    9   20   31   47   63   78   88   92   99  102  104  105  106  108  108  108  110  110 
LCS_GDT     Y   131_B     Y   131_B      5    9  115      4    4    6    8   13   16   24   30   35   52   61   71   81   91   98  101  104  107  110  110 
LCS_GDT     L   132_B     L   132_B      5    9  115      4    4    6    8   13   14   20   28   35   50   60   69   80   87   94   99  102  105  110  110 
LCS_GDT     D   133_B     D   133_B      3    9  115      3    3    4    4    8   14   14   22   32   36   43   53   63   70   79   85   93   99  101  103 
LCS_GDT     R   134_B     R   134_B      3    7  115      3    3    4    4    6    9   14   15   19   23   39   42   47   50   56   62   67   76   80   82 
LCS_GDT     T   135_B     T   135_B      3    4  115      3    3    4    4    5    6   11   15   24   30   39   43   47   50   56   62   67   76   80   82 
LCS_GDT     T   136_B     T   136_B      3    4  115      0    3    4    4    4    5    8   13   19   24   39   43   47   54   65   71   77   87   96  101 
LCS_GDT     V   137_B     V   137_B      3    4  115      0    3    3    3    4    6    9   22   27   32   39   48   54   59   61   71   90   98  101  103 
LCS_GDT     V   138_B     V   138_B      3    4   28      0    0    3    3    4    6   11   15   19   23   30   31   37   41   46   49   55   58   60   65 
LCS_AVERAGE  LCS_A:  61.28  (  13.86   73.15   96.83 )

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     19     47     69     81     90     91     93     96     98    100    102    104    105    107    107    108    108    108    110    110 
GDT PERCENT_AT  16.10  39.83  58.47  68.64  76.27  77.12  78.81  81.36  83.05  84.75  86.44  88.14  88.98  90.68  90.68  91.53  91.53  91.53  93.22  93.22
GDT RMS_LOCAL    0.33   0.69   0.95   1.17   1.34   1.36   1.50   1.70   1.87   1.99   2.14   2.32   2.41   2.63   2.63   2.75   2.75   2.75   3.24   3.24
GDT RMS_ALL_AT   6.37   6.17   6.18   6.06   6.17   6.16   6.10   6.01   5.95   5.93   5.94   5.94   5.92   5.91   5.91   5.87   5.87   5.87   5.79   5.79

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  D    97_B      D    97_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   126_B      E   126_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B    16.100     0    0.662   1.276    18.626    0.000    0.000
LGA    A    22_B      A    22_B    12.978     0    0.303   0.316    13.810    0.357    0.286
LGA    S    23_B      S    23_B     7.164     0    0.578   0.957     9.377    7.143    9.206
LGA    M    24_B      M    24_B     8.768     0    0.580   0.680    12.870    6.786    3.810
LGA    Y    25_B      Y    25_B     7.583     0    0.123   1.381    15.819   16.786    5.595
LGA    A    26_B      A    26_B     4.615     0    0.111   0.189     6.444   24.048   26.667
LGA    K    27_B      K    27_B     4.567     0    0.288   1.419     6.710   40.714   29.788
LGA    H    28_B      H    28_B     7.280     0    0.479   1.193    14.381   11.905    4.905
LGA    S    29_B      S    29_B     6.621     0    0.472   0.802     8.201   11.310   14.762
LGA    A    30_B      A    30_B     7.427     0    0.465   0.429     8.180   11.667   10.286
LGA    Q    31_B      Q    31_B     5.650     0    0.223   1.137    11.068   34.048   16.561
LGA    N    32_B      N    32_B     2.642     0    0.550   1.140     4.487   48.690   64.107
LGA    Y    33_B      Y    33_B     1.656     0    0.308   0.431    10.956   66.905   34.484
LGA    Q    34_B      Q    34_B     2.898     0    0.103   1.258     4.309   62.857   57.831
LGA    P    35_B      P    35_B     2.473     0    0.197   0.228     2.909   59.048   58.231
LGA    L    36_B      L    36_B     2.745     0    0.451   1.141     5.236   47.262   45.714
LGA    L    37_B      L    37_B     4.166     0    0.414   1.543    11.027   45.119   24.405
LGA    P    38_B      P    38_B     2.286     0    0.217   0.273     2.591   62.857   65.986
LGA    G    39_B      G    39_B     1.973     0    0.113   0.113     2.381   66.786   66.786
LGA    I    40_B      I    40_B     2.364     0    0.162   0.739     2.755   62.857   64.940
LGA    K    41_B      K    41_B     1.559     0    0.081   0.884     3.768   75.000   66.243
LGA    I    42_B      I    42_B     1.130     0    0.040   1.379     3.177   81.429   72.381
LGA    K    43_B      K    43_B     1.087     0    0.132   0.932     4.975   79.286   62.963
LGA    T    44_B      T    44_B     1.444     0    0.152   0.935     4.834   67.738   57.755
LGA    L    45_B      L    45_B     6.325     0    0.407   0.573    12.539   22.976   11.845
LGA    V    46_B      V    46_B     3.937     0    0.148   1.145     6.964   56.667   43.265
LGA    Y    47_B      Y    47_B     0.854     0    0.157   0.267     2.535   84.048   77.460
LGA    G    48_B      G    48_B     2.535     0    0.125   0.125     2.593   61.071   61.071
LGA    E    49_B      E    49_B     3.180     0    0.165   0.445     7.597   55.476   37.566
LGA    L    50_B      L    50_B     1.616     0    0.096   0.311     2.934   75.119   68.036
LGA    T    51_B      T    51_B     0.467     0    0.137   0.274     1.377   90.595   93.265
LGA    L    52_B      L    52_B     0.727     0    0.106   0.260     2.485   92.857   83.036
LGA    M    53_B      M    53_B     1.222     0    0.127   1.169     5.224   81.429   68.988
LGA    T    54_B      T    54_B     1.234     0    0.131   0.716     2.235   77.262   74.286
LGA    E    55_B      E    55_B     0.640     0    0.026   0.277     0.892   90.476   92.593
LGA    F    56_B      F    56_B     0.625     0    0.026   0.999     4.773   95.238   72.035
LGA    V    57_B      V    57_B     0.811     0    0.035   0.243     1.941   88.214   85.374
LGA    M    58_B      M    58_B     0.708     0    0.040   0.210     0.891   90.476   90.476
LGA    D    59_B      D    59_B     0.899     0    0.100   0.745     4.014   90.476   72.619
LGA    K    60_B      K    60_B     0.593     0    0.057   0.676     3.970   90.476   75.079
LGA    G    61_B      G    61_B     1.026     0    0.096   0.096     1.026   85.952   85.952
LGA    S    62_B      S    62_B     0.918     0    0.098   0.583     1.280   88.214   85.952
LGA    S    63_B      S    63_B     0.825     0    0.000   0.015     0.990   90.476   90.476
LGA    L    64_B      L    64_B     1.301     0    0.098   0.473     1.719   81.429   80.357
LGA    P    65_B      P    65_B     1.782     0    0.020   0.079     2.109   75.000   72.925
LGA    D    66_B      D    66_B     1.404     0    0.017   0.547     2.625   77.143   75.179
LGA    H    67_B      H    67_B     1.480     0    0.150   0.280     1.952   81.429   78.000
LGA    T    68_B      T    68_B     0.607     0    0.081   1.006     3.337   83.810   78.367
LGA    H    69_B      H    69_B     2.094     0    0.127   1.086     4.758   70.952   57.429
LGA    P    70_B      P    70_B     1.740     0    0.220   0.291     3.187   65.119   70.884
LGA    Y    71_B      Y    71_B     2.301     0    0.147   0.294     6.698   70.833   45.000
LGA    E    72_B      E    72_B     0.879     0    0.049   0.807     2.347   88.214   81.693
LGA    Q    73_B      Q    73_B     0.664     0    0.227   1.229     4.696   88.214   76.349
LGA    T    74_B      T    74_B     0.950     0    0.045   1.154     3.410   83.810   78.367
LGA    G    75_B      G    75_B     2.019     0    0.151   0.151     2.019   70.833   70.833
LGA    Y    76_B      Y    76_B     1.337     0    0.105   0.294     2.763   83.690   75.952
LGA    L    77_B      L    77_B     0.708     0    0.123   0.281     0.980   92.857   92.857
LGA    V    78_B      V    78_B     0.432     0    0.073   1.273     3.087   97.619   86.463
LGA    S    79_B      S    79_B     0.686     0    0.120   0.187     1.040   88.214   88.968
LGA    G    80_B      G    80_B     1.574     0    0.038   0.038     1.574   79.286   79.286
LGA    K    81_B      K    81_B     0.944     0    0.097   0.766     1.980   88.214   83.545
LGA    I    82_B      I    82_B     0.753     0    0.028   1.115     3.329   90.476   82.024
LGA    I    83_B      I    83_B     0.660     0    0.064   1.482     4.519   90.476   74.821
LGA    L    84_B      L    84_B     0.892     0    0.059   0.948     2.853   90.476   80.833
LGA    Y    85_B      Y    85_B     0.929     0    0.062   0.999     7.336   88.214   57.540
LGA    I    86_B      I    86_B     0.548     0    0.071   0.219     1.278   88.214   90.595
LGA    E    87_B      E    87_B     1.589     0    0.275   0.694     4.246   75.000   63.122
LGA    D    88_B      D    88_B     1.498     0    0.044   0.518     2.517   79.286   73.095
LGA    K    89_B      K    89_B     1.189     0    0.086   0.751     4.642   85.952   71.746
LGA    K    90_B      K    90_B     0.871     0    0.052   1.054     4.651   88.214   72.857
LGA    Q    91_B      Q    91_B     1.076     0    0.041   1.339     6.032   88.214   65.291
LGA    Q    92_B      Q    92_B     1.009     0    0.031   1.060     3.231   85.952   78.995
LGA    I    93_B      I    93_B     1.058     0    0.084   1.621     3.783   85.952   73.750
LGA    M    94_B      M    94_B     0.924     0    0.023   1.051     3.105   90.476   78.869
LGA    A    95_B      A    95_B     0.744     0    0.052   0.066     1.275   85.952   86.857
LGA    G    96_B      G    96_B     1.875     0    0.028   0.028     2.259   72.976   72.976
LGA    D    97_B      D    97_B     1.776     0    0.045   0.823     4.253   75.000   66.488
LGA    S    98_B      S    98_B     1.705     0    0.140   0.197     2.831   68.929   66.270
LGA    W    99_B      W    99_B     0.757     0    0.142   1.706     5.657   90.476   66.190
LGA    C   100_B      C   100_B     1.328     0    0.015   0.037     1.652   79.286   77.143
LGA    I   101_B      I   101_B     1.234     0    0.093   0.991     3.446   85.952   77.619
LGA    P   102_B      P   102_B     1.025     0    0.087   0.315     1.609   83.690   82.789
LGA    K   103_B      K   103_B     1.656     0    0.058   1.474     5.203   75.000   64.709
LGA    N   104_B      N   104_B     1.955     0    0.138   0.652     4.077   81.667   64.286
LGA    V   105_B      V   105_B     0.307     0    0.079   1.003     2.238   90.595   85.578
LGA    H   106_B      H   106_B     1.529     0    0.081   1.384     2.841   77.143   71.714
LGA    H   107_B      H   107_B     1.118     0    0.061   1.499     5.430   81.429   64.095
LGA    H   108_B      H   108_B     0.903     0    0.178   1.199     3.560   85.952   77.190
LGA    A   109_B      A   109_B     2.066     0    0.082   0.112     2.197   66.786   66.381
LGA    E   110_B      E   110_B     1.633     0    0.039   0.907     3.148   79.405   70.529
LGA    I   111_B      I   111_B     0.761     0    0.071   0.769     2.001   88.214   82.738
LGA    L   112_B      L   112_B     0.581     0    0.057   0.513     1.272   90.595   88.274
LGA    E   113_B      E   113_B     0.853     0    0.033   0.835     2.283   90.476   83.651
LGA    N   114_B      N   114_B     0.676     0    0.102   0.905     2.288   90.476   85.060
LGA    S   115_B      S   115_B     0.657     0    0.035   0.098     0.985   90.476   90.476
LGA    V   116_B      V   116_B     0.679     0    0.026   0.145     0.889   90.476   90.476
LGA    A   117_B      A   117_B     0.823     0    0.020   0.035     0.874   90.476   90.476
LGA    V   118_B      V   118_B     0.812     0    0.045   0.162     0.870   90.476   90.476
LGA    E   119_B      E   119_B     0.710     0    0.079   0.701     4.510   90.476   69.735
LGA    V   120_B      V   120_B     0.441     0    0.082   0.435     1.665   95.238   89.388
LGA    F   121_B      F   121_B     0.719     0    0.013   0.562     1.913   90.476   86.450
LGA    A   122_B      A   122_B     1.245     0    0.032   0.075     1.685   79.405   79.810
LGA    P   123_B      P   123_B     1.479     0    0.219   0.571     3.596   75.000   66.463
LGA    T   124_B      T   124_B     3.722     0    0.474   0.524     7.541   61.667   40.748
LGA    R   125_B      R   125_B     1.486     0    0.443   1.806    11.962   73.214   39.134
LGA    E   126_B      E   126_B     1.738     0    0.141   0.891     4.387   63.214   56.984
LGA    E   127_B      E   127_B     5.123     0    0.083   0.569    10.529   27.024   14.339
LGA    Y   128_B      Y   128_B     5.792     0    0.117   1.056     7.136   18.690   43.095
LGA    I   129_B      I   129_B     5.941     0    0.018   0.301     8.854   14.405   25.298
LGA    K   130_B      K   130_B     9.548     0    0.041   0.814    13.201    1.905    2.063
LGA    Y   131_B      Y   131_B    13.603     0    0.130   1.177    15.979    0.000    0.000
LGA    L   132_B      L   132_B    14.461     0    0.604   0.563    16.703    0.000    0.000
LGA    D   133_B      D   133_B    18.466     0    0.340   0.868    23.322    0.000    0.000
LGA    R   134_B      R   134_B    23.085     0    0.287   0.822    28.004    0.000    0.000
LGA    T   135_B      T   135_B    22.330     0    0.692   0.593    23.523    0.000    0.000
LGA    T   136_B      T   136_B    19.722     0    0.692   0.584    20.205    0.000    0.000
LGA    V   137_B      V   137_B    16.531     0    0.212   0.653    19.274    0.000    0.000
LGA    V   138_B      V   138_B    23.332     0    0.087   0.362    28.080    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     945    945  100.00               118
SUMMARY(RMSD_GDC):     5.614          5.676                  6.245           65.968   59.703

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0     96    1.70    70.339    74.494     5.340

LGA_LOCAL      RMSD:   1.698  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.012  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   5.614  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.942226 * X  +   0.329777 * Y  +  -0.058799 * Z  + -33.971809
  Y_new =  -0.055698 * X  +   0.018854 * Y  +   0.998270 * Z  +  26.980925
  Z_new =   0.330315 * X  +   0.943870 * Y  +   0.000603 * Z  +   4.209239 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.082549 -0.336637  1.570157   [DEG: -176.6170  -19.2879   89.9634 ]
ZXZ: -3.082760  1.570193  0.336637   [DEG: -176.6291   89.9654   19.2879 ]
 
# END of job
