
#######################################################
#                                                     #
#                        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  129 (  974),  selected  127 , name one
# Molecule2: number of CA atoms  127 (  962),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       2.22     2.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      23_A - 122_A       1.99     2.23
  LCS_AVERAGE:     66.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      23_A - 57_A        0.97     2.36
  LCS_AVERAGE:     20.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     E    23_A     E    23_A     35  100  127     42   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     35  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     35  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     35  100  127     49   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     35  100  127     30   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     35  100  127     30   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     35  100  127     20   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     35  100  127     21   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     35  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     35  100  127      5   79   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     35  100  127     11   84   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     35  100  127     34   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     35  100  127     18   73   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     35  100  127     13   67   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A     35  100  127      3    6   82  102  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A     35  100  127      4   26   75  104  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     35  100  127     36   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     35  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     35  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     35  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A      8  100  127      5   25   75  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A      5  100  127      4    5   11   19   47   65  110  117  119  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A      5  100  127      4    5   11   15   47   65   94  116  119  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A      5  100  127      4   12   26   69  102  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A      6  100  127      4    5   23   43   91  112  114  116  120  121  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     31  100  127     10   33   83  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     31  100  127     29   87   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     31  100  127     37   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     31  100  127     32   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     31  100  127     43   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     31  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     31  100  127      5   51   95  103  110  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     31  100  127      4   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     31  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     31  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     31  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     31  100  127     10   84   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     31  100  127      8   55   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     31  100  127     31   84   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     31  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     31  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     31  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     31  100  127     37   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     31  100  127     16   84   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     31  100  127     10   78   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     31  100  127      3    3   52  103  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A      4  100  127      3    3   11   85  110  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A      3  100  127     11   60   95  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     22  100  127      3    3   26   57   93  107  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     23  100  127     10   73   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     23  100  127     45   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     23  100  127     37   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     23  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     23  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     23  100  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     23  100  127     49   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     23  100  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     23  100  127     37   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     23  100  127     49   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     23  100  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     23  100  127     11   50   94  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     23  100  127     16   54   96  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A      6  100  127      3    5   17   42   71  109  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A      4  100  127      3    4    5    8   10   27   37   49  108  121  123  126  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      4  100  127      3    4   14   27   36   46   62  113  120  121  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      4   61  127      3    4    4   21   48  100  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      3    5  127      3    3    4    5   26   44   62   79  103  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A      3   24  127      3    3   19   43   79  101  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A      4   24  127     13   56   92  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A      4   24  127      3    3   39   56   81  102  111  117  119  122  123  125  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     20   24  127     10   44   84  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     20   24  127     44   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     20   24  127     45   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     20   24  127     39   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     20   24  127     36   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     20   24  127     46   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     20   24  127     26   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     20   24  127     42   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     20   24  127     50   88   99  108  111  113  114  117  120  122  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     20   24  127      3   11   41   75  106  111  114  117  120  121  124  126  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A      3   24  127      3    3    6    8   13   30   56  115  117  120  124  126  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  62.05  (  20.01   66.13  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     50     88     99    108    111    113    114    117    120    122    124    126    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  39.37  69.29  77.95  85.04  87.40  88.98  89.76  92.13  94.49  96.06  97.64  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.56   0.68   0.95   1.03   1.09   1.15   1.49   1.61   1.89   2.01   2.17   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22
GDT RMS_ALL_AT   2.40   2.38   2.38   2.31   2.30   2.31   2.32   2.25   2.25   2.23   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22

# Checking swapping
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  F   133_A      F   133_A
#   possible swapping detected:  Y   135_A      Y   135_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     0.829     0    0.580   1.155     4.980   79.643   60.053
LGA    V    24_A      V    24_A     1.346     0    0.033   1.041     3.424   83.690   75.850
LGA    Q    25_A      Q    25_A     1.184     0    0.013   1.302     3.387   81.429   71.587
LGA    L    26_A      L    26_A     0.767     0    0.034   1.318     3.841   90.476   80.119
LGA    V    27_A      V    27_A     0.421     0    0.089   1.165     3.041  100.000   87.823
LGA    E    28_A      E    28_A     0.589     0    0.000   0.113     0.700   92.857   91.534
LGA    S    29_A      S    29_A     0.344     0    0.041   0.604     2.078  100.000   94.127
LGA    G    30_A      G    30_A     0.522     0    0.023   0.023     0.708   90.476   90.476
LGA    G    31_A      G    31_A     0.869     0    0.021   0.021     0.882   90.476   90.476
LGA    G    32_A      G    32_A     0.842     0    0.082   0.082     0.842   90.476   90.476
LGA    S    33_A      S    33_A     0.504     0    0.037   0.109     1.004   92.857   90.556
LGA    V    34_A      V    34_A     0.927     0    0.051   0.292     1.010   90.476   89.184
LGA    Q    35_A      Q    35_A     1.299     0    0.020   0.896     2.178   83.690   77.725
LGA    A    36_A      A    36_A     1.011     0    0.032   0.043     1.090   85.952   86.857
LGA    G    37_A      G    37_A     0.528     0    0.071   0.071     1.161   88.214   88.214
LGA    G    38_A      G    38_A     1.590     0    0.136   0.136     1.934   75.000   75.000
LGA    S    39_A      S    39_A     1.361     0    0.085   0.687     1.675   79.286   77.143
LGA    L    40_A      L    40_A     1.109     0    0.047   1.366     3.314   85.952   76.607
LGA    R    41_A      R    41_A     0.321     0    0.075   1.111     6.291   95.238   71.558
LGA    L    42_A      L    42_A     0.397     0    0.000   0.088     1.302  100.000   92.976
LGA    S    43_A      S    43_A     0.357     0    0.018   0.041     0.447  100.000  100.000
LGA    C    44_A      C    44_A     0.425     0    0.069   0.087     0.793  100.000   98.413
LGA    A    45_A      A    45_A     0.162     0    0.046   0.092     0.334  100.000  100.000
LGA    A    46_A      A    46_A     0.700     0    0.161   0.196     1.525   97.619   92.667
LGA    S    47_A      S    47_A     1.545     0    0.637   0.768     3.930   69.881   70.873
LGA    A    48_A      A    48_A     1.519     0    0.000   0.060     2.716   68.929   68.095
LGA    F    49_A      F    49_A     2.607     0    0.321   1.116     5.975   71.190   47.879
LGA    G    50_A      G    50_A     2.471     0    0.654   0.654     2.471   70.952   70.952
LGA    N    51_A      N    51_A     0.994     0    0.139   0.648     2.141   83.810   80.595
LGA    Y    52_A      Y    52_A     1.163     0    0.053   1.296     7.704   85.952   59.921
LGA    M    53_A      M    53_A     0.315     0    0.094   1.296     4.899   95.238   81.607
LGA    G    54_A      G    54_A     0.569     0    0.110   0.110     1.006   88.214   88.214
LGA    W    55_A      W    55_A     0.450     0    0.039   0.225     1.318   95.238   92.619
LGA    F    56_A      F    56_A     0.419     0    0.102   0.346     1.104   97.619   93.117
LGA    R    57_A      R    57_A     0.619     0    0.555   0.963     2.155   86.429   84.978
LGA    Q    58_A      Q    58_A     2.739     0    0.226   0.829     6.006   42.619   44.815
LGA    A    59_A      A    59_A     6.521     0    0.071   0.087     7.683   23.333   20.095
LGA    P    60_A      P    60_A     7.484     0    0.071   0.398    11.165    9.405    5.646
LGA    G    61_A      G    61_A     4.927     0    0.713   0.713     5.471   36.071   36.071
LGA    K    62_A      K    62_A     4.690     2    0.582   0.669    11.493   42.143   20.000
LGA    E    63_A      E    63_A     2.301     0    0.059   1.146     2.929   66.905   70.370
LGA    R    64_A      R    64_A     0.716     0    0.074   0.909     3.704   83.810   75.152
LGA    E    65_A      E    65_A     0.239     0    0.093   0.357     1.082   97.619   92.698
LGA    G    66_A      G    66_A     0.482     0    0.109   0.109     0.703   95.238   95.238
LGA    V    67_A      V    67_A     0.237     0    0.060   0.358     0.595   97.619   95.918
LGA    A    68_A      A    68_A     0.766     0    0.000   0.035     0.986   90.476   90.476
LGA    A    69_A      A    69_A     0.872     0    0.094   0.158     1.241   88.214   88.667
LGA    I    70_A      I    70_A     0.624     0    0.099   0.128     0.711   90.476   90.476
LGA    R    71_A      R    71_A     0.455     0    0.063   1.483     6.035  100.000   70.346
LGA    T    72_A      T    72_A     0.246     0    0.144   0.139     1.094   95.357   90.680
LGA    G    73_A      G    73_A     0.301     0    0.575   0.575     1.914   93.214   93.214
LGA    G    74_A      G    74_A     2.810     0    0.127   0.127     2.810   60.952   60.952
LGA    G    75_A      G    75_A     1.321     0    0.048   0.048     1.618   81.548   81.548
LGA    S    76_A      S    76_A     0.730     0    0.100   0.644     3.251   92.857   85.317
LGA    T    77_A      T    77_A     0.931     0    0.119   1.116     3.519   88.214   78.639
LGA    Y    78_A      Y    78_A     0.869     0    0.031   0.276     1.373   88.214   89.802
LGA    Y    79_A      Y    79_A     0.603     0    0.147   0.197     1.459   88.214   89.722
LGA    T    80_A      T    80_A     0.262     0    0.047   0.099     0.620   97.619   98.639
LGA    D    81_A      D    81_A     0.968     0    0.022   0.896     2.542   85.952   80.655
LGA    S    82_A      S    82_A     0.906     0    0.162   0.149     1.630   83.810   89.206
LGA    V    83_A      V    83_A     0.847     0    0.000   0.088     1.049   85.952   87.891
LGA    K    84_A      K    84_A     1.579     0    0.065   0.825     2.910   75.000   72.116
LGA    G    85_A      G    85_A     1.996     0    0.147   0.147     2.268   70.833   70.833
LGA    R    86_A      R    86_A     1.361     0    0.080   1.562     3.200   81.429   72.164
LGA    F    87_A      F    87_A     0.655     0    0.049   0.373     1.772   90.476   88.095
LGA    T    88_A      T    88_A     0.555     0    0.146   0.145     0.824   92.857   91.837
LGA    I    89_A      I    89_A     0.406     0    0.070   0.142     1.421   95.238   91.726
LGA    S    90_A      S    90_A     0.612     0    0.029   0.665     1.991   92.857   89.127
LGA    Q    91_A      Q    91_A     1.003     0    0.095   1.183     4.306   83.690   75.820
LGA    D    92_A      D    92_A     1.381     0    0.315   0.848     4.342   70.952   59.048
LGA    K    93_A      K    93_A     2.406     0    0.649   1.143     3.126   64.881   66.825
LGA    A    94_A      A    94_A     3.193     0    0.493   0.505     4.334   48.571   48.857
LGA    K    95_A      K    95_A     2.195     0    0.249   0.839     9.500   77.619   44.815
LGA    N    96_A      N    96_A     4.204     0    0.495   1.038     8.131   54.048   31.905
LGA    T    97_A      T    97_A     1.621     0    0.076   1.107     3.486   66.905   63.878
LGA    V    98_A      V    98_A     0.526     0    0.052   0.264     1.317   92.857   90.544
LGA    Y    99_A      Y    99_A     0.522     0    0.027   0.216     1.970   92.857   87.540
LGA    L   100_A      L   100_A     0.213     0    0.073   0.084     0.504  100.000   98.810
LGA    Q   101_A      Q   101_A     0.405     0    0.037   0.276     1.121   97.619   93.704
LGA    M   102_A      M   102_A     0.714     0    0.113   0.606     3.289   90.476   84.286
LGA    N   103_A      N   103_A     0.832     0    0.048   0.070     1.188   90.476   88.214
LGA    S   104_A      S   104_A     0.846     0    0.057   0.717     3.421   90.476   82.222
LGA    L   105_A      L   105_A     0.226     0    0.000   1.114     3.014  100.000   87.976
LGA    K   106_A      K   106_A     0.427     0    0.049   0.169     1.620   95.238   88.624
LGA    P   107_A      P   107_A     0.934     0    0.137   0.179     1.525   85.952   84.082
LGA    E   108_A      E   108_A     1.059     0    0.087   1.432     4.896   81.548   67.143
LGA    D   109_A      D   109_A     0.966     0    0.036   0.449     1.353   90.476   88.214
LGA    T   110_A      T   110_A     0.954     0    0.055   1.217     2.474   85.952   79.252
LGA    A   111_A      A   111_A     0.636     0    0.052   0.058     0.676   95.238   94.286
LGA    M   112_A      M   112_A     0.383     0    0.000   0.880     3.138   97.619   81.607
LGA    Y   113_A      Y   113_A     0.285     0    0.031   0.096     0.525  100.000   99.206
LGA    V   114_A      V   114_A     0.447     0    0.047   1.132     2.784  100.000   88.844
LGA    C   115_A      C   115_A     0.824     0    0.041   0.741     1.662   90.476   86.032
LGA    A   116_A      A   116_A     0.377     0    0.078   0.096     0.585   97.619   98.095
LGA    T   117_A      T   117_A     0.552     0    0.138   0.902     3.192   92.857   83.469
LGA    A   118_A      A   118_A     1.903     0    0.132   0.185     2.417   75.000   72.952
LGA    G   119_A      G   119_A     1.915     0    0.531   0.531     2.064   72.976   72.976
LGA    D   120_A      D   120_A     4.696     0    0.663   0.908     8.653   29.048   19.702
LGA    R   121_A      R   121_A     7.411     0    0.099   0.806    14.062    8.690    3.203
LGA    W   122_A      W   122_A     7.318     0    0.538   1.188    17.975   12.619    3.810
LGA    H   123_A      H   123_A     5.454     0    0.237   0.417     8.109   16.429   24.048
LGA    A   124_A      A   124_A     7.245     0    0.149   0.168     8.925   25.833   21.238
LGA    T   125_A      T   125_A     5.663     0    0.084   0.165     9.110   25.476   16.190
LGA    D   126_A      D   126_A     1.849     0    0.447   0.920     4.616   63.095   55.476
LGA    A   127_A      A   127_A     5.419     0    0.332   0.338     7.372   32.976   28.381
LGA    F   128_A      F   128_A     2.498     0    0.495   0.804     3.494   61.190   62.381
LGA    I   129_A      I   129_A     0.883     0    0.681   0.797     4.107   78.095   72.143
LGA    L   130_A      L   130_A     0.902     0    0.046   1.056     2.603   88.214   80.833
LGA    R   131_A      R   131_A     1.044     0    0.000   1.259     4.982   81.429   58.485
LGA    D   132_A      D   132_A     1.113     0    0.111   1.065     4.285   81.548   69.881
LGA    F   133_A      F   133_A     1.142     0    0.167   1.031     6.423   75.119   55.974
LGA    V   134_A      V   134_A     1.423     0    0.197   0.244     2.233   77.262   76.599
LGA    Y   135_A      Y   135_A     0.748     0    0.149   0.383     1.855   83.810   86.746
LGA    E   136_A      E   136_A     0.821     0    0.000   1.221     3.855   90.476   75.820
LGA    Y   137_A      Y   137_A     0.410     0    0.043   0.190     0.937   95.238   92.063
LGA    W   138_A      W   138_A     0.640     0    0.042   0.130     0.713   90.476   93.197
LGA    G   139_A      G   139_A     0.736     0    0.045   0.045     0.786   90.476   90.476
LGA    Q   140_A      Q   140_A     0.611     0    0.015   0.279     1.498   95.238   88.571
LGA    G   141_A      G   141_A     0.134     0    0.011   0.011     1.035   95.357   95.357
LGA    T   142_A      T   142_A     0.845     0    0.051   0.090     1.542   92.857   86.735
LGA    Q   143_A      Q   143_A     0.408     0    0.032   0.909     3.132   95.238   82.169
LGA    V   144_A      V   144_A     0.581     0    0.006   1.101     2.977   95.238   85.918
LGA    T   145_A      T   145_A     0.426     0    0.052   1.079     2.737   97.619   86.395
LGA    V   146_A      V   146_A     0.600     0    0.124   0.140     0.944   90.476   91.837
LGA    S   147_A      S   147_A     0.717     0    0.187   0.206     2.007   79.643   80.317
LGA    S   148_A      S   148_A     4.401     0    0.562   0.727     6.106   36.786   30.952
LGA    A   149_A      A   149_A     6.521     0    0.090   0.138     8.718   23.095   19.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00     962    962  100.00               127
SUMMARY(RMSD_GDC):     2.216          2.178                  3.110           80.183   74.879

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  129  127    4.0    117    1.49    86.614    83.351     7.377

LGA_LOCAL      RMSD:   1.486  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.248  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   2.216  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.657148 * X  +   0.580976 * Y  +  -0.480233 * Z  + 102.911125
  Y_new =   0.393942 * X  +   0.807896 * Y  +   0.438308 * Z  + -308.865295
  Z_new =   0.642624 * X  +   0.098850 * Y  +  -0.759778 * Z  +  57.452515 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.601561 -0.697919  3.012216   [DEG:  149.0585  -39.9878  172.5873 ]
ZXZ: -2.310584  2.433768  1.418171   [DEG: -132.3867  139.4446   81.2552 ]
 
# END of job
