
#######################################################
#                                                     #
#                        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:   118      21_B - 138_B       2.97     2.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      21_B - 134_B       1.91     3.07
  LCS_AVERAGE:     94.89

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    93      33_B - 125_B       0.98     3.14
  LONGEST_CONTINUOUS_SEGMENT:    93      34_B - 126_B       0.99     3.12
  LCS_AVERAGE:     68.06

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  114  118      0    3    4   44   72  107  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A    22_B     A    22_B      8  114  118      6    8   10   34  101  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S    23_B     S    23_B      8  114  118      6   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     M    24_B     M    24_B      8  114  118      6   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y    25_B     Y    25_B      8  114  118      6   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A    26_B     A    26_B      8  114  118     10   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    27_B     K    27_B      8  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     H    28_B     H    28_B      8  114  118      3   66   91   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S    29_B     S    29_B      8  114  118      3   54   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A    30_B     A    30_B      4  114  118      3    4    5    5   14   19   22   79  107  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Q    31_B     Q    31_B      4  114  118      3    4    5    6   20   37   85   94  107  111  112  113  113  113  115  115  116  116  116  116 
LCS_GDT     N    32_B     N    32_B     92  114  118      3   29   71   92  102  107  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y    33_B     Y    33_B     93  114  118      4   31   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Q    34_B     Q    34_B     93  114  118     29   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     P    35_B     P    35_B     93  114  118     29   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    36_B     L    36_B     93  114  118      3   15   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    37_B     L    37_B     93  114  118      3   17   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     P    38_B     P    38_B     93  114  118      8   40   92   99  104  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     G    39_B     G    39_B     93  114  118     29   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I    40_B     I    40_B     93  114  118     10   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    41_B     K    41_B     93  114  118      8   46   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I    42_B     I    42_B     93  114  118      8   59   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    43_B     K    43_B     93  114  118     14   59   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T    44_B     T    44_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    45_B     L    45_B     93  114  118      3    6   17   49  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V    46_B     V    46_B     93  114  118      3    5   29   96  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y    47_B     Y    47_B     93  114  118     13   77   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     G    48_B     G    48_B     93  114  118     14   78   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E    49_B     E    49_B     93  114  118      4   61   86   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    50_B     L    50_B     93  114  118     32   78   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T    51_B     T    51_B     93  114  118     41   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    52_B     L    52_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     M    53_B     M    53_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T    54_B     T    54_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E    55_B     E    55_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     F    56_B     F    56_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V    57_B     V    57_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     M    58_B     M    58_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     D    59_B     D    59_B     93  114  118     31   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    60_B     K    60_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     G    61_B     G    61_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S    62_B     S    62_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S    63_B     S    63_B     93  114  118     13   78   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    64_B     L    64_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     P    65_B     P    65_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     D    66_B     D    66_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     H    67_B     H    67_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T    68_B     T    68_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     H    69_B     H    69_B     93  114  118     38   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     P    70_B     P    70_B     93  114  118     32   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y    71_B     Y    71_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E    72_B     E    72_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Q    73_B     Q    73_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T    74_B     T    74_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     G    75_B     G    75_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y    76_B     Y    76_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    77_B     L    77_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V    78_B     V    78_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S    79_B     S    79_B     93  114  118     41   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     G    80_B     G    80_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    81_B     K    81_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I    82_B     I    82_B     93  114  118      9   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I    83_B     I    83_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L    84_B     L    84_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y    85_B     Y    85_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I    86_B     I    86_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E    87_B     E    87_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     D    88_B     D    88_B     93  114  118     11   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    89_B     K    89_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K    90_B     K    90_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Q    91_B     Q    91_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Q    92_B     Q    92_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I    93_B     I    93_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     M    94_B     M    94_B     93  114  118     28   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A    95_B     A    95_B     93  114  118     21   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     G    96_B     G    96_B     93  114  118      9   18   89   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     D    97_B     D    97_B     93  114  118     19   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S    98_B     S    98_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     W    99_B     W    99_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     C   100_B     C   100_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I   101_B     I   101_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     P   102_B     P   102_B     93  114  118     32   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K   103_B     K   103_B     93  114  118     32   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     N   104_B     N   104_B     93  114  118     17   78   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V   105_B     V   105_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     H   106_B     H   106_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     H   107_B     H   107_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     H   108_B     H   108_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A   109_B     A   109_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E   110_B     E   110_B     93  114  118     29   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I   111_B     I   111_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L   112_B     L   112_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E   113_B     E   113_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     N   114_B     N   114_B     93  114  118     29   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     S   115_B     S   115_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V   116_B     V   116_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A   117_B     A   117_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V   118_B     V   118_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E   119_B     E   119_B     93  114  118     30   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     V   120_B     V   120_B     93  114  118     19   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     F   121_B     F   121_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     A   122_B     A   122_B     93  114  118     42   79   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     P   123_B     P   123_B     93  114  118     13   77   92   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T   124_B     T   124_B     93  114  118      3    6   72   97  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     R   125_B     R   125_B     93  114  118      3   39   78   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E   126_B     E   126_B     93  114  118      6   39   79   95  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     E   127_B     E   127_B     92  114  118      6   39   78   97  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y   128_B     Y   128_B     92  114  118      6   49   86   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     I   129_B     I   129_B     92  114  118      6   69   88   99  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     K   130_B     K   130_B     92  114  118      4   19   79   95  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     Y   131_B     Y   131_B     89  114  118      4   17   61   87  102  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     L   132_B     L   132_B     88  114  118      8   43   75   89  105  108  110  110  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     D   133_B     D   133_B      3  114  118      3    3    4    4   11   19   80   94  110  111  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     R   134_B     R   134_B      3  114  118      3    3    4    6   17   61   86   93  100  110  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T   135_B     T   135_B      4  105  118      4    4    4    4    4    4   13   81   98  108  112  113  113  114  115  115  116  116  116  116 
LCS_GDT     T   136_B     T   136_B      4  103  118      4    4    4    4   11   24   51   70   88   95  102  109  113  114  114  115  116  116  116  116 
LCS_GDT     V   137_B     V   137_B      4    4  118      4    4    4    4    5    9   11   13   18   27   45   64   82   95  103  109  114  115  115  116 
LCS_GDT     V   138_B     V   138_B      4    4  118      4    4    4    4    6    9   13   16   21   33   45   55   68   73   99  101  110  113  115  116 
LCS_AVERAGE  LCS_A:  87.65  (  68.06   94.89  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     42     79     92     99    105    108    110    110    110    111    112    113    113    114    115    115    116    116    116    116 
GDT PERCENT_AT  35.59  66.95  77.97  83.90  88.98  91.53  93.22  93.22  93.22  94.07  94.92  95.76  95.76  96.61  97.46  97.46  98.31  98.31  98.31  98.31
GDT RMS_LOCAL    0.35   0.58   0.77   0.91   1.12   1.20   1.29   1.29   1.29   1.48   1.63   1.81   1.81   2.07   2.06   2.06   2.30   2.30   2.30   2.30
GDT RMS_ALL_AT   3.18   3.19   3.21   3.17   3.09   3.08   3.08   3.08   3.08   3.09   3.12   3.01   3.01   2.99   3.04   3.04   3.01   3.01   3.01   3.01

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  D    66_B      D    66_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   131_B      Y   131_B
#   possible swapping detected:  D   133_B      D   133_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     3.694     0    0.130   0.608     9.054   50.833   30.119
LGA    A    22_B      A    22_B     2.820     0    0.619   0.602     5.597   64.881   56.190
LGA    S    23_B      S    23_B     1.374     0    0.033   0.738     2.929   72.976   71.746
LGA    M    24_B      M    24_B     1.210     0    0.011   1.198     5.459   81.429   63.690
LGA    Y    25_B      Y    25_B     1.320     0    0.085   0.168     1.918   77.143   80.000
LGA    A    26_B      A    26_B     1.168     0    0.044   0.052     1.394   81.429   81.429
LGA    K    27_B      K    27_B     0.590     0    0.124   1.186     5.338   88.214   70.476
LGA    H    28_B      H    28_B     1.472     0    0.684   1.052     7.613   75.833   48.619
LGA    S    29_B      S    29_B     1.779     0    0.690   0.825     5.043   55.119   48.333
LGA    A    30_B      A    30_B     7.959     0    0.051   0.059    10.272    8.333    6.667
LGA    Q    31_B      Q    31_B     7.506     0    0.229   0.936    13.226   24.167   11.058
LGA    N    32_B      N    32_B     3.375     0    0.545   0.523     5.407   49.524   53.512
LGA    Y    33_B      Y    33_B     2.202     0    0.154   0.282     3.606   57.500   54.365
LGA    Q    34_B      Q    34_B     1.205     0    0.097   0.924     2.385   81.429   76.772
LGA    P    35_B      P    35_B     1.366     0    0.099   0.318     1.826   83.690   81.497
LGA    L    36_B      L    36_B     1.656     0    0.176   0.971     4.224   72.857   65.417
LGA    L    37_B      L    37_B     2.141     0    0.083   1.373     4.672   66.786   62.619
LGA    P    38_B      P    38_B     2.372     0    0.075   0.104     3.561   64.881   58.571
LGA    G    39_B      G    39_B     0.789     0    0.034   0.034     1.288   88.214   88.214
LGA    I    40_B      I    40_B     1.267     0    0.044   0.637     3.709   79.286   71.369
LGA    K    41_B      K    41_B     1.588     0    0.082   0.939     2.992   75.000   72.116
LGA    I    42_B      I    42_B     1.584     0    0.021   1.239     3.704   72.857   65.238
LGA    K    43_B      K    43_B     1.739     0    0.030   0.711     3.253   77.143   66.984
LGA    T    44_B      T    44_B     0.674     0    0.620   1.022     4.045   79.881   72.993
LGA    L    45_B      L    45_B     3.070     0    0.522   1.394    10.330   67.262   37.262
LGA    V    46_B      V    46_B     2.307     0    0.119   0.961     6.481   62.976   49.116
LGA    Y    47_B      Y    47_B     0.989     0    0.032   0.106     2.200   88.214   83.849
LGA    G    48_B      G    48_B     1.145     0    0.138   0.138     2.053   77.262   77.262
LGA    E    49_B      E    49_B     1.681     0    0.184   1.009     5.560   71.071   53.492
LGA    L    50_B      L    50_B     0.817     0    0.043   0.094     1.243   90.476   87.083
LGA    T    51_B      T    51_B     0.878     0    0.138   1.121     2.882   88.214   80.612
LGA    L    52_B      L    52_B     0.828     0    0.048   0.660     2.221   88.214   85.060
LGA    M    53_B      M    53_B     0.866     0    0.084   0.131     0.881   90.476   90.476
LGA    T    54_B      T    54_B     0.675     0    0.189   0.279     1.159   88.214   87.891
LGA    E    55_B      E    55_B     0.757     0    0.000   0.463     1.484   90.476   88.466
LGA    F    56_B      F    56_B     0.515     0    0.013   0.119     1.560   95.238   89.004
LGA    V    57_B      V    57_B     0.656     0    0.058   0.116     1.358   95.238   89.320
LGA    M    58_B      M    58_B     0.274     0    0.031   0.930     4.795   97.619   87.917
LGA    D    59_B      D    59_B     0.653     0    0.054   0.469     2.240   97.619   89.702
LGA    K    60_B      K    60_B     0.524     0    0.018   0.788     4.613   92.857   71.693
LGA    G    61_B      G    61_B     0.483     0    0.291   0.291     0.592   97.619   97.619
LGA    S    62_B      S    62_B     0.591     0    0.173   0.604     1.906   88.214   86.032
LGA    S    63_B      S    63_B     0.852     0    0.040   0.618     2.328   95.238   87.857
LGA    L    64_B      L    64_B     0.205     0    0.035   0.742     2.877  100.000   91.131
LGA    P    65_B      P    65_B     0.481     0    0.071   0.076     0.628  100.000   97.279
LGA    D    66_B      D    66_B     0.137     0    0.027   0.445     1.085  100.000   96.488
LGA    H    67_B      H    67_B     0.338     0    0.000   1.471     6.009   97.619   66.476
LGA    T    68_B      T    68_B     0.591     0    0.069   0.090     0.635   90.476   90.476
LGA    H    69_B      H    69_B     0.726     0    0.067   1.441     5.174   90.476   72.810
LGA    P    70_B      P    70_B     0.839     0    0.254   0.243     1.865   86.071   87.959
LGA    Y    71_B      Y    71_B     0.266     0    0.033   0.361     1.085   97.619   97.659
LGA    E    72_B      E    72_B     0.358     0    0.024   0.336     1.634  100.000   95.926
LGA    Q    73_B      Q    73_B     0.487     0    0.110   0.265     1.131   92.976   95.820
LGA    T    74_B      T    74_B     0.486     0    0.138   1.072     2.225   90.833   84.490
LGA    G    75_B      G    75_B     0.667     0    0.068   0.068     0.733   90.476   90.476
LGA    Y    76_B      Y    76_B     0.277     0    0.035   1.300     9.109  100.000   60.040
LGA    L    77_B      L    77_B     0.505     0    0.098   0.162     1.201   95.238   90.595
LGA    V    78_B      V    78_B     0.506     0    0.009   0.049     0.731   95.238   95.918
LGA    S    79_B      S    79_B     0.464     0    0.059   0.576     1.979  100.000   93.889
LGA    G    80_B      G    80_B     0.454     0    0.039   0.039     0.509   97.619   97.619
LGA    K    81_B      K    81_B     0.357     0    0.035   0.693     1.850   92.976   84.709
LGA    I    82_B      I    82_B     0.970     0    0.158   0.990     3.133   88.214   79.821
LGA    I    83_B      I    83_B     0.380     0    0.064   0.071     0.791   97.619   95.238
LGA    L    84_B      L    84_B     0.463     0    0.057   0.130     0.880  100.000   95.238
LGA    Y    85_B      Y    85_B     0.461     0    0.047   0.117     0.617   97.619   96.825
LGA    I    86_B      I    86_B     0.531     0    0.034   0.062     0.707   92.857   94.048
LGA    E    87_B      E    87_B     0.623     0    0.053   0.767     3.609   90.476   74.974
LGA    D    88_B      D    88_B     0.900     0    0.014   1.121     3.453   90.476   76.012
LGA    K    89_B      K    89_B     0.355     0    0.076   0.662     4.363   92.976   78.466
LGA    K    90_B      K    90_B     0.395     0    0.071   0.565     3.339   97.619   81.799
LGA    Q    91_B      Q    91_B     0.213     0    0.041   0.596     2.041  100.000   87.037
LGA    Q    92_B      Q    92_B     0.499     0    0.025   0.291     1.623  100.000   92.751
LGA    I    93_B      I    93_B     0.400     0    0.041   0.112     1.000  100.000   94.107
LGA    M    94_B      M    94_B     0.660     0    0.045   1.071     3.494   88.214   86.667
LGA    A    95_B      A    95_B     0.926     0    0.016   0.041     1.122   85.952   86.857
LGA    G    96_B      G    96_B     1.896     0    0.044   0.044     1.896   72.857   72.857
LGA    D    97_B      D    97_B     1.002     0    0.039   0.236     1.714   85.952   82.619
LGA    S    98_B      S    98_B     0.424     0    0.009   0.030     0.523   95.238   96.825
LGA    W    99_B      W    99_B     0.453     0    0.027   0.127     0.873   95.238   94.558
LGA    C   100_B      C   100_B     0.629     0    0.092   0.117     0.933   90.476   90.476
LGA    I   101_B      I   101_B     0.433     0    0.032   0.045     0.691   92.857   96.429
LGA    P   102_B      P   102_B     0.733     0    0.063   0.081     0.791   90.476   90.476
LGA    K   103_B      K   103_B     0.806     0    0.025   1.137     4.155   90.476   79.841
LGA    N   104_B      N   104_B     1.100     0    0.136   0.363     2.138   90.595   81.786
LGA    V   105_B      V   105_B     0.624     0    0.035   0.073     0.868   90.476   90.476
LGA    H   106_B      H   106_B     0.425     0    0.027   1.235     5.465  100.000   71.571
LGA    H   107_B      H   107_B     0.499     0    0.048   0.095     0.499  100.000  100.000
LGA    H   108_B      H   108_B     0.629     0    0.063   1.160     2.892   92.857   83.762
LGA    A   109_B      A   109_B     0.502     0    0.040   0.045     0.648   92.857   92.381
LGA    E   110_B      E   110_B     0.818     0    0.034   0.989     2.563   95.238   82.963
LGA    I   111_B      I   111_B     0.440     0    0.060   0.196     1.837  100.000   89.702
LGA    L   112_B      L   112_B     0.412     0    0.047   0.169     0.849   95.238   95.238
LGA    E   113_B      E   113_B     0.696     0    0.142   1.060     2.658   88.214   79.947
LGA    N   114_B      N   114_B     0.813     0    0.074   1.088     3.742   90.476   75.179
LGA    S   115_B      S   115_B     0.400     0    0.036   0.674     2.622  100.000   92.857
LGA    V   116_B      V   116_B     0.453     0    0.070   0.099     1.113  100.000   93.333
LGA    A   117_B      A   117_B     0.604     0    0.032   0.038     0.663   90.476   90.476
LGA    V   118_B      V   118_B     0.619     0    0.055   0.082     0.839   90.476   90.476
LGA    E   119_B      E   119_B     0.743     0    0.116   0.548     3.558   88.214   78.519
LGA    V   120_B      V   120_B     0.861     0    0.025   0.082     1.734   90.476   85.374
LGA    F   121_B      F   121_B     0.410     0    0.055   0.095     0.547   97.619   97.403
LGA    A   122_B      A   122_B     0.436     0    0.067   0.061     0.497  100.000  100.000
LGA    P   123_B      P   123_B     1.034     0    0.036   0.092     1.253   83.690   85.306
LGA    T   124_B      T   124_B     2.220     0    0.075   0.948     3.603   66.786   62.925
LGA    R   125_B      R   125_B     2.141     0    0.058   0.819     2.276   64.762   70.779
LGA    E   126_B      E   126_B     2.428     0    0.021   0.264     2.791   64.762   61.376
LGA    E   127_B      E   127_B     2.278     0    0.119   0.172     2.624   70.952   64.974
LGA    Y   128_B      Y   128_B     1.707     0    0.184   0.227     2.122   70.833   72.262
LGA    I   129_B      I   129_B     1.518     0    0.089   0.637     3.710   72.857   67.143
LGA    K   130_B      K   130_B     2.430     0    0.130   0.742     5.468   62.976   49.788
LGA    Y   131_B      Y   131_B     3.446     0    0.222   0.785     4.527   45.119   42.500
LGA    L   132_B      L   132_B     3.169     0    0.608   0.546     4.136   55.714   50.417
LGA    D   133_B      D   133_B     6.959     0    0.552   1.393    12.090   12.381    6.250
LGA    R   134_B      R   134_B     8.790     0    0.090   1.217    14.503    3.571    1.472
LGA    T   135_B      T   135_B     8.878     0    0.555   0.429     9.428    2.619    5.102
LGA    T   136_B      T   136_B    11.804     0    0.063   0.121    14.120    0.000    0.000
LGA    V   137_B      V   137_B    14.755     0    0.053   0.130    17.741    0.000    0.000
LGA    V   138_B      V   138_B    16.081     0    0.073   0.278    19.600    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):     2.974          3.046                  3.467           80.639   74.603

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    110    1.29    85.381    90.050     7.937

LGA_LOCAL      RMSD:   1.286  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.083  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.974  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.417447 * X  +  -0.544939 * Y  +   0.727172 * Z  + -74.355240
  Y_new =  -0.329340 * X  +   0.836556 * Y  +   0.437847 * Z  + -49.398930
  Z_new =  -0.846920 * X  +  -0.056709 * Y  +  -0.528688 * Z  +  72.311478 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.473633  1.010165 -3.034737   [DEG: -141.7287   57.8782 -173.8776 ]
ZXZ:  2.112775  2.127851 -1.637656   [DEG:  121.0531  121.9169  -93.8308 ]
 
# END of job
