
#######################################################
#                                                     #
#                        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       3.90     3.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110      21_B - 130_B       1.92     4.16
  LONGEST_CONTINUOUS_SEGMENT:   110      22_B - 131_B       1.92     4.16
  LONGEST_CONTINUOUS_SEGMENT:   110      23_B - 132_B       1.91     4.15
  LCS_AVERAGE:     89.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      39_B - 128_B       0.99     4.13
  LCS_AVERAGE:     61.88

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  110  118      3    3    3    3    3    4    5    7    7   39   61  100  108  108  109  112  114  114  116  116 
LCS_GDT     A    22_B     A    22_B      3  110  118      3    3    3    4    4    9   26   34   99  102  107  107  108  110  110  113  114  114  116  116 
LCS_GDT     S    23_B     S    23_B      3  110  118      3    3   34   69   85   94  102  106  106  106  107  109  109  110  112  113  114  114  116  116 
LCS_GDT     M    24_B     M    24_B      5  110  118      3   41   72   97  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y    25_B     Y    25_B      5  110  118      3   40   69   97  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     A    26_B     A    26_B      5  110  118     11   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    27_B     K    27_B      5  110  118      3   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     H    28_B     H    28_B      5  110  118     21   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     S    29_B     S    29_B      4  110  118      4    8   37   76  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     A    30_B     A    30_B      4  110  118      4    4    4    4   14   27   33   48   80  100  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Q    31_B     Q    31_B      4  110  118      4    4    4    7   14   66   86  105  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     N    32_B     N    32_B     30  110  118     16   44   82   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y    33_B     Y    33_B     30  110  118     16   47   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Q    34_B     Q    34_B     30  110  118     19   47   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     P    35_B     P    35_B     30  110  118     19   47   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    36_B     L    36_B     30  110  118     19   44   81   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    37_B     L    37_B     30  110  118      9   40   70   96  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     P    38_B     P    38_B     86  110  118     19   44   80   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     G    39_B     G    39_B     90  110  118     32   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I    40_B     I    40_B     90  110  118     19   63   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    41_B     K    41_B     90  110  118     19   62   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I    42_B     I    42_B     90  110  118     19   56   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    43_B     K    43_B     90  110  118     19   41   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     T    44_B     T    44_B     90  110  118     20   64   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    45_B     L    45_B     90  110  118     30   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V    46_B     V    46_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y    47_B     Y    47_B     90  110  118     35   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     G    48_B     G    48_B     90  110  118      3   62   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E    49_B     E    49_B     90  110  118      3   24   44   68   95  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    50_B     L    50_B     90  110  118     26   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     T    51_B     T    51_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    52_B     L    52_B     90  110  118     37   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     M    53_B     M    53_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     T    54_B     T    54_B     90  110  118     32   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E    55_B     E    55_B     90  110  118     36   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     F    56_B     F    56_B     90  110  118     31   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V    57_B     V    57_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     M    58_B     M    58_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     D    59_B     D    59_B     90  110  118     37   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    60_B     K    60_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     G    61_B     G    61_B     90  110  118      6   13   80   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     S    62_B     S    62_B     90  110  118     17   39   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     S    63_B     S    63_B     90  110  118     17   36   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    64_B     L    64_B     90  110  118     17   51   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     P    65_B     P    65_B     90  110  118     13   41   83   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     D    66_B     D    66_B     90  110  118      3   23   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     H    67_B     H    67_B     90  110  118     11   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     T    68_B     T    68_B     90  110  118     11   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     H    69_B     H    69_B     90  110  118     20   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     P    70_B     P    70_B     90  110  118     20   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y    71_B     Y    71_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E    72_B     E    72_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Q    73_B     Q    73_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     T    74_B     T    74_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     G    75_B     G    75_B     90  110  118     18   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y    76_B     Y    76_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    77_B     L    77_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V    78_B     V    78_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     S    79_B     S    79_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     G    80_B     G    80_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    81_B     K    81_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I    82_B     I    82_B     90  110  118     19   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I    83_B     I    83_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L    84_B     L    84_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y    85_B     Y    85_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I    86_B     I    86_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E    87_B     E    87_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     D    88_B     D    88_B     90  110  118     11   63   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    89_B     K    89_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K    90_B     K    90_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Q    91_B     Q    91_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Q    92_B     Q    92_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I    93_B     I    93_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     M    94_B     M    94_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     A    95_B     A    95_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     G    96_B     G    96_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     D    97_B     D    97_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     S    98_B     S    98_B     90  110  118     26   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     W    99_B     W    99_B     90  110  118     11   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     C   100_B     C   100_B     90  110  118     10   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I   101_B     I   101_B     90  110  118     38   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     P   102_B     P   102_B     90  110  118     21   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K   103_B     K   103_B     90  110  118     21   68   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     N   104_B     N   104_B     90  110  118     20   68   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V   105_B     V   105_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     H   106_B     H   106_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     H   107_B     H   107_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     H   108_B     H   108_B     90  110  118     24   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     A   109_B     A   109_B     90  110  118     10   41   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E   110_B     E   110_B     90  110  118      8   41   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I   111_B     I   111_B     90  110  118      5   64   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     L   112_B     L   112_B     90  110  118     26   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E   113_B     E   113_B     90  110  118     34   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     N   114_B     N   114_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     S   115_B     S   115_B     90  110  118     36   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V   116_B     V   116_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     A   117_B     A   117_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V   118_B     V   118_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E   119_B     E   119_B     90  110  118     34   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     V   120_B     V   120_B     90  110  118     33   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     F   121_B     F   121_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     A   122_B     A   122_B     90  110  118     39   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     P   123_B     P   123_B     90  110  118     29   69   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     T   124_B     T   124_B     90  110  118     10   66   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     R   125_B     R   125_B     90  110  118     14   62   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E   126_B     E   126_B     90  110  118     24   66   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     E   127_B     E   127_B     90  110  118     24   66   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y   128_B     Y   128_B     90  110  118     10   66   84   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     I   129_B     I   129_B     88  110  118      6   60   81   98  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     K   130_B     K   130_B     88  110  118      3   12   81   99  104  104  105  106  106  106  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     Y   131_B     Y   131_B      3  110  118      3    3    4    5    5    7   14   17   21   40   56   94  109  110  112  113  114  114  116  116 
LCS_GDT     L   132_B     L   132_B      3  110  118      3    3    4    5   11   15   21   30   53   82  108  109  109  110  112  113  114  114  116  116 
LCS_GDT     D   133_B     D   133_B      4  102  118      3    4    4    6   10   12   14   17   22   26   40   48   68   92  109  113  113  114  116  116 
LCS_GDT     R   134_B     R   134_B      4    6  118      3    4    5    8   10   14   23   44   63   71   94  102  107  109  112  113  114  114  116  116 
LCS_GDT     T   135_B     T   135_B      4    6  118      3    4    4    4    9   30   43   51   68   89   98  104  107  109  112  113  114  114  116  116 
LCS_GDT     T   136_B     T   136_B      4    6  118      3    4    4    5    8   11   13   16   29   39   46   60   77   87  100  106  112  114  116  116 
LCS_GDT     V   137_B     V   137_B      3    6  118      3    3    3    3    4    6    8   10   10   11   13   14   20   22   33   52   87  107  110  115 
LCS_GDT     V   138_B     V   138_B      3    6  118      3    3    3    4    5    6    8   10   10   11   13   13   13   14   15   16   26   31   32   54 
LCS_AVERAGE  LCS_A:  83.77  (  61.88   89.43  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     39     69     84     99    104    104    105    106    106    106    108    109    109    110    112    113    114    114    116    116 
GDT PERCENT_AT  33.05  58.47  71.19  83.90  88.14  88.14  88.98  89.83  89.83  89.83  91.53  92.37  92.37  93.22  94.92  95.76  96.61  96.61  98.31  98.31
GDT RMS_LOCAL    0.35   0.58   0.80   1.07   1.17   1.17   1.22   1.30   1.30   1.30   1.68   1.75   1.75   1.91   2.43   2.65   2.65   2.65   3.14   3.14
GDT RMS_ALL_AT   4.15   4.13   4.13   4.18   4.21   4.21   4.20   4.18   4.18   4.18   4.18   4.16   4.16   4.15   4.03   4.02   4.01   4.01   3.95   3.95

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    66_B      D    66_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E    87_B      E    87_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     8.709     0    0.114   0.538     9.210    6.905    5.893
LGA    A    22_B      A    22_B     7.121     0    0.667   0.635     8.702   21.667   17.905
LGA    S    23_B      S    23_B     4.760     0    0.587   0.689     8.375   42.619   32.063
LGA    M    24_B      M    24_B     2.490     0    0.317   1.032     9.668   66.905   39.762
LGA    Y    25_B      Y    25_B     2.272     0    0.101   0.162     5.275   62.976   47.143
LGA    A    26_B      A    26_B     0.607     0    0.077   0.080     1.158   90.595   90.571
LGA    K    27_B      K    27_B     0.825     0    0.114   1.103     5.717   88.333   67.513
LGA    H    28_B      H    28_B     0.987     0    0.587   1.227     2.563   84.048   76.667
LGA    S    29_B      S    29_B     2.713     0    0.614   0.583     5.440   46.310   43.254
LGA    A    30_B      A    30_B     8.103     0    0.243   0.240    10.377    9.048    7.238
LGA    Q    31_B      Q    31_B     6.089     0    0.157   0.771    12.965   33.690   16.085
LGA    N    32_B      N    32_B     2.070     0    0.604   0.952     3.587   63.452   72.440
LGA    Y    33_B      Y    33_B     1.757     0    0.111   0.248     3.288   70.833   64.325
LGA    Q    34_B      Q    34_B     1.762     0    0.040   1.171     3.077   72.857   70.370
LGA    P    35_B      P    35_B     1.890     0    0.119   0.261     3.239   70.833   66.122
LGA    L    36_B      L    36_B     2.079     0    0.025   1.352     5.006   62.976   59.226
LGA    L    37_B      L    37_B     2.727     0    0.056   0.860     5.486   64.881   52.917
LGA    P    38_B      P    38_B     2.406     0    0.080   0.161     4.101   64.881   55.714
LGA    G    39_B      G    39_B     0.533     0    0.060   0.060     1.166   90.595   90.595
LGA    I    40_B      I    40_B     1.109     0    0.099   0.646     3.574   79.286   71.369
LGA    K    41_B      K    41_B     1.132     0    0.043   0.570     2.685   85.952   75.238
LGA    I    42_B      I    42_B     1.303     0    0.016   1.156     3.469   79.286   70.238
LGA    K    43_B      K    43_B     1.512     0    0.026   1.031     2.918   81.548   69.735
LGA    T    44_B      T    44_B     0.803     0    0.033   1.193     3.498   88.214   76.327
LGA    L    45_B      L    45_B     0.757     0    0.044   0.151     1.425   90.595   88.274
LGA    V    46_B      V    46_B     0.732     0    0.027   0.140     1.539   90.476   85.374
LGA    Y    47_B      Y    47_B     0.959     0    0.067   1.353     7.544   85.952   58.968
LGA    G    48_B      G    48_B     1.898     0    0.211   0.211     2.333   68.810   68.810
LGA    E    49_B      E    49_B     3.485     0    0.095   0.956     8.313   53.571   30.265
LGA    L    50_B      L    50_B     0.993     0    0.144   0.215     1.799   86.071   87.143
LGA    T    51_B      T    51_B     0.352     0    0.034   1.119     2.599   95.238   85.918
LGA    L    52_B      L    52_B     0.616     0    0.131   1.003     3.682   90.595   76.131
LGA    M    53_B      M    53_B     0.505     0    0.092   0.197     0.974   95.238   92.857
LGA    T    54_B      T    54_B     0.374     0    0.058   0.094     1.017   97.619   93.265
LGA    E    55_B      E    55_B     0.222     0    0.081   0.493     2.732  100.000   88.995
LGA    F    56_B      F    56_B     0.463     0    0.088   0.190     1.028  100.000   93.983
LGA    V    57_B      V    57_B     0.383     0    0.101   0.162     1.087  100.000   95.986
LGA    M    58_B      M    58_B     0.294     0    0.024   1.014     4.493  100.000   86.369
LGA    D    59_B      D    59_B     0.417     0    0.115   1.018     3.949   97.619   79.286
LGA    K    60_B      K    60_B     0.813     0    0.035   1.281     9.075   85.952   58.730
LGA    G    61_B      G    61_B     1.831     0    0.085   0.085     2.284   72.976   72.976
LGA    S    62_B      S    62_B     1.834     0    0.103   0.633     2.778   70.833   68.889
LGA    S    63_B      S    63_B     1.792     0    0.054   0.670     2.532   72.857   70.238
LGA    L    64_B      L    64_B     1.652     0    0.130   0.665     4.225   79.405   67.738
LGA    P    65_B      P    65_B     1.714     0    0.698   0.663     3.967   75.238   65.510
LGA    D    66_B      D    66_B     1.449     0    0.172   0.846     3.203   75.119   70.119
LGA    H    67_B      H    67_B     1.551     0    0.128   0.329     2.451   79.286   73.000
LGA    T    68_B      T    68_B     1.398     0    0.070   1.164     4.190   79.286   71.429
LGA    H    69_B      H    69_B     1.482     0    0.108   0.303     1.598   77.143   83.381
LGA    P    70_B      P    70_B     1.515     0    0.365   0.457     2.996   68.929   70.612
LGA    Y    71_B      Y    71_B     0.543     0    0.060   0.158     1.237   90.476   88.214
LGA    E    72_B      E    72_B     0.496     0    0.082   0.152     0.853   97.619   96.825
LGA    Q    73_B      Q    73_B     0.725     0    0.125   0.225     1.078   88.214   89.471
LGA    T    74_B      T    74_B     0.519     0    0.059   1.072     3.146   92.857   83.537
LGA    G    75_B      G    75_B     1.097     0    0.092   0.092     1.238   85.952   85.952
LGA    Y    76_B      Y    76_B     0.567     0    0.050   0.173     1.238   90.476   87.460
LGA    L    77_B      L    77_B     0.439     0    0.019   0.968     3.985  100.000   86.190
LGA    V    78_B      V    78_B     0.519     0    0.055   0.061     0.729   92.857   91.837
LGA    S    79_B      S    79_B     0.420     0    0.040   0.692     2.348  100.000   94.127
LGA    G    80_B      G    80_B     0.432     0    0.117   0.117     1.226   92.976   92.976
LGA    K    81_B      K    81_B     0.459     0    0.075   0.854     1.931   95.238   87.672
LGA    I    82_B      I    82_B     0.839     0    0.084   1.022     3.278   90.476   80.952
LGA    I    83_B      I    83_B     0.278     0    0.064   1.108     2.873   97.619   83.690
LGA    L    84_B      L    84_B     0.451     0    0.086   0.879     3.509   97.619   83.750
LGA    Y    85_B      Y    85_B     0.450     0    0.079   1.302     8.475   92.857   58.095
LGA    I    86_B      I    86_B     0.709     0    0.040   1.146     3.413   90.476   78.036
LGA    E    87_B      E    87_B     0.466     0    0.572   1.157     3.223   82.738   79.418
LGA    D    88_B      D    88_B     1.130     0    0.067   0.786     5.405   90.714   67.381
LGA    K    89_B      K    89_B     0.158     0    0.087   0.817     3.132   92.976   80.423
LGA    K    90_B      K    90_B     0.444     0    0.099   0.937     4.818   97.619   74.815
LGA    Q    91_B      Q    91_B     0.419     0    0.096   1.020     3.125  100.000   83.439
LGA    Q    92_B      Q    92_B     0.054     0    0.078   1.159     3.804  100.000   85.714
LGA    I    93_B      I    93_B     0.452     0    0.049   0.102     0.994  100.000   95.238
LGA    M    94_B      M    94_B     0.352     0    0.049   0.668     2.898  100.000   83.690
LGA    A    95_B      A    95_B     0.310     0    0.052   0.056     0.469  100.000  100.000
LGA    G    96_B      G    96_B     0.200     0    0.045   0.045     0.303  100.000  100.000
LGA    D    97_B      D    97_B     0.243     0    0.057   0.089     0.816  100.000   96.429
LGA    S    98_B      S    98_B     0.780     0    0.026   0.058     0.934   92.857   92.063
LGA    W    99_B      W    99_B     1.072     0    0.028   1.308     7.001   81.429   60.374
LGA    C   100_B      C   100_B     0.990     0    0.076   0.074     1.097   85.952   84.444
LGA    I   101_B      I   101_B     0.706     0    0.037   1.099     3.380   88.214   77.917
LGA    P   102_B      P   102_B     1.237     0    0.068   0.109     1.378   83.690   84.014
LGA    K   103_B      K   103_B     1.627     0    0.035   1.155     4.890   72.857   62.487
LGA    N   104_B      N   104_B     1.724     0    0.086   1.438     5.826   72.857   60.714
LGA    V   105_B      V   105_B     1.158     0    0.046   0.084     1.220   81.429   82.721
LGA    H   106_B      H   106_B     1.012     0    0.030   1.088     3.546   85.952   79.000
LGA    H   107_B      H   107_B     0.829     0    0.075   0.095     0.991   90.476   95.238
LGA    H   108_B      H   108_B     0.868     0    0.105   1.048     4.407   90.476   72.619
LGA    A   109_B      A   109_B     1.331     0    0.036   0.062     1.580   79.286   79.714
LGA    E   110_B      E   110_B     1.560     0    0.043   1.291     4.533   81.548   63.862
LGA    I   111_B      I   111_B     1.036     0    0.032   0.654     2.899   83.690   74.345
LGA    L   112_B      L   112_B     0.802     0    0.107   0.190     1.661   88.452   88.333
LGA    E   113_B      E   113_B     0.682     0    0.104   0.837     3.801   88.214   80.317
LGA    N   114_B      N   114_B     0.740     0    0.275   1.164     2.766   88.452   83.095
LGA    S   115_B      S   115_B     0.347     0    0.082   0.147     0.416  100.000  100.000
LGA    V   116_B      V   116_B     0.305     0    0.023   0.072     0.646   97.619   97.279
LGA    A   117_B      A   117_B     0.593     0    0.050   0.051     0.664   95.238   94.286
LGA    V   118_B      V   118_B     0.704     0    0.034   0.115     0.960   90.476   90.476
LGA    E   119_B      E   119_B     0.851     0    0.038   0.618     3.878   92.857   79.577
LGA    V   120_B      V   120_B     0.766     0    0.045   1.188     3.551   90.476   77.687
LGA    F   121_B      F   121_B     0.480     0    0.029   0.131     0.501   97.619   99.134
LGA    A   122_B      A   122_B     0.083     0    0.039   0.064     0.288  100.000  100.000
LGA    P   123_B      P   123_B     0.669     0    0.038   0.124     0.852   92.857   94.558
LGA    T   124_B      T   124_B     1.369     0    0.133   1.156     4.204   79.286   69.184
LGA    R   125_B      R   125_B     1.352     0    0.073   1.111     2.289   83.690   80.087
LGA    E   126_B      E   126_B     1.247     0    0.038   1.293     5.260   81.429   61.958
LGA    E   127_B      E   127_B     1.233     0    0.071   0.665     2.449   81.429   76.772
LGA    Y   128_B      Y   128_B     1.385     0    0.212   0.488     2.710   73.214   82.579
LGA    I   129_B      I   129_B     1.836     0    0.608   0.847     4.685   64.048   59.583
LGA    K   130_B      K   130_B     2.246     0    0.736   0.894     9.767   52.976   38.730
LGA    Y   131_B      Y   131_B     8.723     0    0.623   1.068    17.239    4.762    1.587
LGA    L   132_B      L   132_B     7.657     0    0.591   1.477     8.845    6.071   17.798
LGA    D   133_B      D   133_B    12.430     0    0.544   1.383    15.921    0.000    0.000
LGA    R   134_B      R   134_B    11.983     0    0.230   1.129    14.753    0.000    0.000
LGA    T   135_B      T   135_B    12.356     0    0.673   1.346    13.473    0.000    0.408
LGA    T   136_B      T   136_B    16.205     0    0.712   1.446    19.744    0.000    0.000
LGA    V   137_B      V   137_B    17.179     0    0.073   1.214    18.642    0.000    0.000
LGA    V   138_B      V   138_B    22.668     0    0.123   1.225    25.631    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):     3.904          3.907                  4.495           77.094   70.180

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    106    1.30    81.992    85.909     7.569

LGA_LOCAL      RMSD:   1.300  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.184  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   3.904  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.705346 * X  +   0.548631 * Y  +   0.448878 * Z  + -100.929337
  Y_new =   0.668855 * X  +  -0.305367 * Y  +  -0.677779 * Z  +   9.277441
  Z_new =  -0.234778 * X  +   0.778303 * Y  +  -0.582343 * Z  +   3.030063 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.758850  0.236990  2.213159   [DEG:   43.4789   13.5786  126.8046 ]
ZXZ:  0.584958  2.192405 -0.292974   [DEG:   33.5156  125.6155  -16.7862 ]
 
# END of job
