
#######################################################
#                                                     #
#                        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  125 (  950),  selected  125 , name one
# Molecule2: number of CA atoms  127 (  962),  selected  125 , 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:   125      24_A - 148_A       1.67     1.67
  LCS_AVERAGE:     98.43

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125      24_A - 148_A       1.67     1.67
  LCS_AVERAGE:     98.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      24_A - 118_A       0.96     1.83
  LCS_AVERAGE:     60.86

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     V    24_A     V    24_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    25_A     Q    25_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    26_A     L    26_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    27_A     V    27_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    28_A     E    28_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    29_A     S    29_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    30_A     G    30_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    31_A     G    31_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    32_A     G    32_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    33_A     S    33_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    35_A     Q    35_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    36_A     A    36_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    37_A     G    37_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    38_A     G    38_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    39_A     S    39_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    40_A     L    40_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    41_A     R    41_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    42_A     L    42_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    43_A     S    43_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    44_A     C    44_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    46_A     A    46_A     95  125  125     26  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    47_A     S    47_A     95  125  125      3   87  110  112  114  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    48_A     A    48_A     95  125  125      3    4   62  107  113  115  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_A     F    49_A     95  125  125      3    4    4    5   10   61   87  117  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    50_A     G    50_A     95  125  125      3    5    7   53  112  114  116  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    51_A     N    51_A     95  125  125      3    5   25   96  113  115  116  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    52_A     Y    52_A     95  125  125     27  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    53_A     M    53_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    54_A     G    54_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     W    55_A     W    55_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    56_A     F    56_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_A     R    57_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    58_A     Q    58_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     95  125  125     38  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    60_A     P    60_A     95  125  125     27  101  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    61_A     G    61_A     95  125  125     19  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    62_A     K    62_A     95  125  125     37  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    63_A     E    63_A     95  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    64_A     R    64_A     95  125  125     70  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    65_A     E    65_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    66_A     G    66_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    67_A     V    67_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    69_A     A    69_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    70_A     I    70_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    71_A     R    71_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    72_A     T    72_A     95  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    73_A     G    73_A     95  125  125     31  103  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    74_A     G    74_A     95  125  125      3   61  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    75_A     G    75_A     95  125  125     20  104  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    76_A     S    76_A     95  125  125     31  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    77_A     T    77_A     95  125  125     32  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    78_A     Y    78_A     95  125  125     55  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    79_A     Y    79_A     95  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_A     T    80_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    81_A     D    81_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    82_A     S    82_A     95  125  125     20  104  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    83_A     V    83_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    84_A     K    84_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    85_A     G    85_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    86_A     R    86_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    87_A     F    87_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    88_A     T    88_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    89_A     I    89_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    90_A     S    90_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    91_A     Q    91_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_A     D    92_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    93_A     K    93_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_A     A    94_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    95_A     K    95_A     95  125  125     69  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    96_A     N    96_A     95  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    97_A     T    97_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    98_A     V    98_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    99_A     Y    99_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   100_A     L   100_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   101_A     Q   101_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     M   102_A     M   102_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     N   103_A     N   103_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S   104_A     S   104_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   105_A     L   105_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     K   106_A     K   106_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   107_A     P   107_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   108_A     E   108_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   109_A     D   109_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   110_A     T   110_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   111_A     A   111_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     M   112_A     M   112_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   113_A     Y   113_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   114_A     V   114_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     C   115_A     C   115_A     95  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   116_A     A   116_A     95  125  125     71  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   117_A     T   117_A     95  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   118_A     A   118_A     95  125  125     27   96  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   119_A     G   119_A     70  125  125      3    8   58  110  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   120_A     D   120_A      4  125  125      0    3    5    8   64  102  117  119  120  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   121_A     R   121_A      3  125  125      3    3    3    7   14   19   49   79  118  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   122_A     W   122_A      3  125  125      3    3    3    4   64   80  113  119  120  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     H   123_A     H   123_A      9  125  125      3    8   11   18   39   80  117  119  120  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   124_A     A   124_A      9  125  125      5   23   55  109  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   125_A     T   125_A      9  125  125      3   29   63  103  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   126_A     D   126_A     23  125  125      4   30   65  108  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     23  125  125      3    6   27  111  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F   128_A     F   128_A     23  125  125     51  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   129_A     I   129_A     23  125  125     62  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   130_A     L   130_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   131_A     R   131_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   132_A     D   132_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     F   133_A     F   133_A     23  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   134_A     V   134_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   135_A     Y   135_A     23  125  125     71  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   136_A     E   136_A     23  125  125     51  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   137_A     Y   137_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   138_A     W   138_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   139_A     G   139_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   140_A     Q   140_A     23  125  125     71  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   141_A     G   141_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   142_A     T   142_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   143_A     Q   143_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   144_A     V   144_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   145_A     T   145_A     23  125  125     73  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   146_A     V   146_A     23  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S   147_A     S   147_A     23  125  125     72  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_GDT     S   148_A     S   148_A     23  125  125     34  105  110  112  116  117  118  119  121  121  123  124  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  85.90  (  60.86   98.43   98.43 )

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     73    105    110    112    116    117    118    119    121    121    123    124    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  57.48  82.68  86.61  88.19  91.34  92.13  92.91  93.70  95.28  95.28  96.85  97.64  98.43  98.43  98.43  98.43  98.43  98.43  98.43  98.43
GDT RMS_LOCAL    0.29   0.48   0.54   0.59   0.91   0.93   0.97   1.02   1.17   1.17   1.40   1.53   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67
GDT RMS_ALL_AT   1.75   1.75   1.75   1.74   1.69   1.69   1.69   1.70   1.72   1.72   1.69   1.68   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67

# Checking swapping
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  F   128_A      F   128_A
#   possible swapping detected:  Y   135_A      Y   135_A
#   possible swapping detected:  E   136_A      E   136_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V    24_A      V    24_A     0.377     0    0.099   0.128     1.461   88.333   87.959
LGA    Q    25_A      Q    25_A     0.379     0    0.047   1.363     5.220  100.000   75.926
LGA    L    26_A      L    26_A     0.213     0    0.030   0.476     1.207  100.000   95.357
LGA    V    27_A      V    27_A     0.107     0    0.040   0.099     0.382  100.000  100.000
LGA    E    28_A      E    28_A     0.195     0    0.096   0.111     0.511  100.000   98.942
LGA    S    29_A      S    29_A     0.186     0    0.015   0.081     0.302  100.000  100.000
LGA    G    30_A      G    30_A     0.161     0    0.043   0.043     0.292  100.000  100.000
LGA    G    31_A      G    31_A     0.100     0    0.018   0.018     0.103  100.000  100.000
LGA    G    32_A      G    32_A     0.156     0    0.050   0.050     0.189  100.000  100.000
LGA    S    33_A      S    33_A     0.138     0    0.008   0.586     1.887  100.000   95.476
LGA    V    34_A      V    34_A     0.185     0    0.033   1.214     2.596   97.619   86.122
LGA    Q    35_A      Q    35_A     0.390     0    0.075   0.810     3.694   97.619   82.698
LGA    A    36_A      A    36_A     0.508     0    0.071   0.067     0.614   95.238   94.286
LGA    G    37_A      G    37_A     0.249     0    0.022   0.022     0.369  100.000  100.000
LGA    G    38_A      G    38_A     0.510     0    0.077   0.077     0.510   97.619   97.619
LGA    S    39_A      S    39_A     0.292     0    0.022   0.627     1.971  100.000   95.476
LGA    L    40_A      L    40_A     0.194     0    0.029   0.081     0.311  100.000  100.000
LGA    R    41_A      R    41_A     0.233     0    0.021   0.267     1.250  100.000   95.758
LGA    L    42_A      L    42_A     0.151     0    0.021   0.067     0.209  100.000  100.000
LGA    S    43_A      S    43_A     0.247     0    0.043   0.071     0.353  100.000  100.000
LGA    C    44_A      C    44_A     0.692     0    0.062   0.123     0.952   92.857   92.063
LGA    A    45_A      A    45_A     0.730     0    0.021   0.033     0.778   90.476   90.476
LGA    A    46_A      A    46_A     1.047     0    0.059   0.091     1.536   81.548   79.810
LGA    S    47_A      S    47_A     1.858     0    0.375   0.605     5.661   63.690   54.365
LGA    A    48_A      A    48_A     3.268     0    0.134   0.145     3.502   53.690   51.619
LGA    F    49_A      F    49_A     4.866     0    0.038   1.493    10.481   42.143   18.139
LGA    G    50_A      G    50_A     4.243     0    0.097   0.097     4.243   41.905   41.905
LGA    N    51_A      N    51_A     3.578     0    0.674   1.309     8.293   45.238   29.048
LGA    Y    52_A      Y    52_A     1.275     0    0.107   1.057     7.161   83.810   55.556
LGA    M    53_A      M    53_A     0.351     0    0.068   0.590     1.964   95.238   90.714
LGA    G    54_A      G    54_A     0.585     0    0.045   0.045     0.585   97.619   97.619
LGA    W    55_A      W    55_A     0.396     0    0.022   0.087     0.450  100.000  100.000
LGA    F    56_A      F    56_A     0.469     0    0.030   0.071     0.469  100.000  100.000
LGA    R    57_A      R    57_A     0.362     0    0.018   0.169     0.547   97.619   99.134
LGA    Q    58_A      Q    58_A     0.513     0    0.092   0.304     1.782   92.857   88.571
LGA    A    59_A      A    59_A     1.201     0    0.044   0.056     1.533   85.952   83.333
LGA    P    60_A      P    60_A     1.240     0    0.115   0.177     1.834   83.690   79.048
LGA    G    61_A      G    61_A     1.092     0    0.162   0.162     1.092   85.952   85.952
LGA    K    62_A      K    62_A     0.967     2    0.048   0.628     2.160   83.690   64.497
LGA    E    63_A      E    63_A     0.892     0    0.035   0.512     1.670   88.214   86.508
LGA    R    64_A      R    64_A     0.870     0    0.091   0.992     3.365   88.214   82.900
LGA    E    65_A      E    65_A     0.563     0    0.066   0.293     1.065   90.476   90.529
LGA    G    66_A      G    66_A     0.568     0    0.064   0.064     0.921   92.857   92.857
LGA    V    67_A      V    67_A     0.607     0    0.036   0.169     0.828   90.476   90.476
LGA    A    68_A      A    68_A     0.527     0    0.034   0.038     0.561   92.857   94.286
LGA    A    69_A      A    69_A     0.422     0    0.017   0.022     0.540   97.619   98.095
LGA    I    70_A      I    70_A     0.507     0    0.050   0.082     0.758   95.238   94.048
LGA    R    71_A      R    71_A     0.514     0    0.096   1.315     4.894   88.214   75.238
LGA    T    72_A      T    72_A     0.570     0    0.062   0.093     0.959   92.857   91.837
LGA    G    73_A      G    73_A     1.051     0    0.596   0.596     2.533   77.619   77.619
LGA    G    74_A      G    74_A     1.730     0    0.141   0.141     1.878   75.000   75.000
LGA    G    75_A      G    75_A     0.958     0    0.092   0.092     0.958   90.476   90.476
LGA    S    76_A      S    76_A     1.025     0    0.089   0.699     2.360   88.214   83.175
LGA    T    77_A      T    77_A     0.807     0    0.059   0.086     0.872   90.476   90.476
LGA    Y    78_A      Y    78_A     0.741     0    0.020   0.139     1.989   90.476   84.563
LGA    Y    79_A      Y    79_A     0.719     0    0.021   0.117     0.823   90.476   92.063
LGA    T    80_A      T    80_A     0.651     0    0.027   0.187     0.926   90.476   90.476
LGA    D    81_A      D    81_A     0.256     0    0.067   0.154     0.700   95.238   95.238
LGA    S    82_A      S    82_A     1.201     0    0.058   0.076     1.671   85.952   81.587
LGA    V    83_A      V    83_A     0.461     0    0.040   0.091     0.636   97.619   97.279
LGA    K    84_A      K    84_A     0.361     0    0.023   0.936     4.796  100.000   77.619
LGA    G    85_A      G    85_A     0.262     0    0.030   0.030     0.262  100.000  100.000
LGA    R    86_A      R    86_A     0.195     0    0.060   0.184     0.702  100.000   95.671
LGA    F    87_A      F    87_A     0.183     0    0.034   0.080     0.517   97.619   99.134
LGA    T    88_A      T    88_A     0.134     0    0.017   0.073     0.231  100.000  100.000
LGA    I    89_A      I    89_A     0.143     0    0.013   0.059     0.427  100.000  100.000
LGA    S    90_A      S    90_A     0.297     0    0.040   0.134     0.455  100.000  100.000
LGA    Q    91_A      Q    91_A     0.327     0    0.054   1.039     4.657  100.000   82.646
LGA    D    92_A      D    92_A     0.385     0    0.085   0.136     0.665  100.000   96.429
LGA    K    93_A      K    93_A     0.566     0    0.022   0.327     0.838   92.857   92.593
LGA    A    94_A      A    94_A     0.826     0    0.072   0.070     1.409   85.952   86.857
LGA    K    95_A      K    95_A     0.849     0    0.101   0.529     1.461   90.476   87.460
LGA    N    96_A      N    96_A     0.840     0    0.049   1.282     4.015   90.476   76.310
LGA    T    97_A      T    97_A     0.392     0    0.038   0.092     0.509   97.619   98.639
LGA    V    98_A      V    98_A     0.351     0    0.028   0.765     2.362   97.619   89.728
LGA    Y    99_A      Y    99_A     0.307     0    0.014   0.130     0.795  100.000   98.413
LGA    L   100_A      L   100_A     0.290     0    0.046   0.060     0.362  100.000  100.000
LGA    Q   101_A      Q   101_A     0.229     0    0.012   0.155     0.385  100.000  100.000
LGA    M   102_A      M   102_A     0.244     0    0.023   0.832     2.784  100.000   93.452
LGA    N   103_A      N   103_A     0.198     0    0.023   0.100     0.300  100.000  100.000
LGA    S   104_A      S   104_A     0.382     0    0.015   0.047     0.429  100.000  100.000
LGA    L   105_A      L   105_A     0.384     0    0.036   0.114     0.456  100.000  100.000
LGA    K   106_A      K   106_A     0.410     0    0.053   0.711     2.734  100.000   90.265
LGA    P   107_A      P   107_A     0.323     0    0.061   0.134     0.539   97.619   97.279
LGA    E   108_A      E   108_A     0.299     0    0.045   0.762     2.218  100.000   85.979
LGA    D   109_A      D   109_A     0.292     0    0.033   0.081     0.359  100.000  100.000
LGA    T   110_A      T   110_A     0.415     0    0.112   0.174     0.707   97.619   97.279
LGA    A   111_A      A   111_A     0.150     0    0.028   0.028     0.349  100.000  100.000
LGA    M   112_A      M   112_A     0.081     0    0.046   0.983     2.064  100.000   89.881
LGA    Y   113_A      Y   113_A     0.161     0    0.020   0.106     0.363  100.000  100.000
LGA    V   114_A      V   114_A     0.336     0    0.039   1.180     2.660   97.619   86.122
LGA    C   115_A      C   115_A     0.515     0    0.082   0.653     1.481   97.619   92.222
LGA    A   116_A      A   116_A     0.498     0    0.051   0.074     0.697  100.000   98.095
LGA    T   117_A      T   117_A     0.562     0    0.152   1.078     3.232   95.238   83.742
LGA    A   118_A      A   118_A     1.483     0    0.154   0.204     2.939   71.190   71.524
LGA    G   119_A      G   119_A     3.052     0    0.656   0.656     3.193   55.476   55.476
LGA    D   120_A      D   120_A     6.143     0    0.686   0.918    11.254   15.952    9.286
LGA    R   121_A      R   121_A     8.211     0    0.453   0.535    18.843    9.524    3.463
LGA    W   122_A      W   122_A     7.164     0    0.290   0.520     9.591    6.190   14.082
LGA    H   123_A      H   123_A     6.214     0    0.429   0.428     9.216   17.262   10.571
LGA    A   124_A      A   124_A     3.475     0    0.221   0.238     4.328   41.905   43.524
LGA    T   125_A      T   125_A     4.055     0    0.024   1.254     6.474   46.905   39.048
LGA    D   126_A      D   126_A     3.753     0    0.039   0.133     6.934   52.619   36.726
LGA    A   127_A      A   127_A     2.787     0    0.064   0.066     4.036   61.190   56.381
LGA    F   128_A      F   128_A     0.556     0    0.115   0.839     1.838   88.214   84.805
LGA    I   129_A      I   129_A     0.683     0    0.160   0.962     3.152   90.476   78.988
LGA    L   130_A      L   130_A     0.404     0    0.034   0.081     0.765  100.000   96.429
LGA    R   131_A      R   131_A     0.302     0    0.040   1.032     7.055  100.000   63.420
LGA    D   132_A      D   132_A     0.260     0    0.028   0.379     1.321  100.000   94.107
LGA    F   133_A      F   133_A     0.321     0    0.044   1.108     6.236  100.000   70.043
LGA    V   134_A      V   134_A     0.496     0    0.148   1.251     3.438   92.976   83.537
LGA    Y   135_A      Y   135_A     0.581     0    0.157   0.200     1.466   88.214   96.071
LGA    E   136_A      E   136_A     0.851     0    0.106   0.747     2.930   90.476   78.995
LGA    Y   137_A      Y   137_A     0.277     0    0.022   0.189     1.209  100.000   92.183
LGA    W   138_A      W   138_A     0.365     0    0.058   0.079     0.488  100.000  100.000
LGA    G   139_A      G   139_A     0.302     0    0.043   0.043     0.415  100.000  100.000
LGA    Q   140_A      Q   140_A     0.528     0    0.163   1.232     3.054   97.619   84.233
LGA    G   141_A      G   141_A     0.308     0    0.070   0.070     0.573   97.619   97.619
LGA    T   142_A      T   142_A     0.388     0    0.032   0.040     0.431  100.000  100.000
LGA    Q   143_A      Q   143_A     0.224     0    0.062   0.303     1.279  100.000   95.820
LGA    V   144_A      V   144_A     0.174     0    0.028   0.049     0.306  100.000  100.000
LGA    T   145_A      T   145_A     0.236     0    0.084   1.007     2.264  100.000   89.932
LGA    V   146_A      V   146_A     0.590     0    0.024   0.041     0.699   90.476   90.476
LGA    S   147_A      S   147_A     0.516     0    0.056   0.099     0.772   95.238   93.651
LGA    S   148_A      S   148_A     0.938     0    0.476   0.916     2.450   79.643   77.460

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     948    948  100.00               127
SUMMARY(RMSD_GDC):     1.675          1.668                  2.558           87.488   83.196

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  125  127    4.0    119    1.02    90.748    93.787    10.587

LGA_LOCAL      RMSD:   1.024  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.701  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.675  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.023010 * X  +  -0.207564 * Y  +   0.977951 * Z  + -20.273565
  Y_new =  -0.928659 * X  +   0.357810 * Y  +   0.097793 * Z  + -56.767548
  Z_new =  -0.370219 * X  +  -0.910434 * Y  +  -0.184523 * Z  +  10.202890 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.546024  0.379245 -1.770763   [DEG:  -88.5806   21.7291 -101.4573 ]
ZXZ:  1.670463  1.756382 -2.755375   [DEG:   95.7105  100.6333 -157.8714 ]
 
# END of job
