
#######################################################
#                                                     #
#                        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  130 (  974),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       5_B - 107_B       0.97     1.91
  LCS_AVERAGE:     69.38

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     Q     5_B     Q     5_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    103  125  125     52  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    103  125  125      4   83  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    103  125  125     34  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    103  125  125     38  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    103  125  125     50  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    103  125  125     51  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    103  125  125     52  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    103  125  125     47  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    103  125  125     58  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    103  125  125     47  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    103  125  125      3    3   31   64  103  114  116  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    103  125  125      5  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    103  125  125     48  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    103  125  125     14  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    103  125  125     30  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    103  125  125     30  102  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    103  125  125     48  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    103  125  125     56  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    103  125  125     16   75  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    103  125  125     15  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    103  125  125     50  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    103  125  125     52  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    103  125  125     35  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    103  125  125     47  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    103  125  125     48  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    103  125  125     46  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    103  125  125     42  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    103  125  125     56  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    103  125  125     52  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    103  125  125     54  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    103  125  125     58  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    103  125  125     34  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    103  125  125     34  102  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    103  125  125     55  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    103  125  125     55  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    103  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    103  125  125     30  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    103  125  125      5   19   40  108  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    103  125  125      5   19   99  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    103  125  125     23   77  110  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B    103  125  125      5   36   62  107  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B    103  125  125      3   19   79  106  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      5  125  125      3    4    5    5    9   11   25   70  120  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      5  125  125      3    4   11   23   38   68  107  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      5  125  125      3    4    5    5    6   58   77  114  117  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B      5  125  125      3    4    5    5    6    7   13   40   96  106  122  123  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B      4  125  125      3    4   12   55   82  114  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B      4  125  125      3    4    4   31   54   73  113  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B      4  125  125      3    4   20   31   54   83  113  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B      4  125  125      3    4   12   40   54   83  111  118  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     14  125  125     17   95  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     14  125  125     52  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     14  125  125     14   99  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     14  125  125     58  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     14  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     14  125  125     50  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     14  125  125     58  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     14  125  125     58  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     14  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     14  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     14  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     14  125  125     59  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     14  125  125     55  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     14  125  125      9  103  111  113  116  116  117  119  122  123  124  124  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  89.79  (  69.38  100.00  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     59    103    111    113    116    116    117    119    122    123    124    124    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  47.20  82.40  88.80  90.40  92.80  92.80  93.60  95.20  97.60  98.40  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.54   0.64   0.69   0.86   0.86   0.95   1.23   1.52   1.59   1.72   1.72   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83
GDT RMS_ALL_AT   1.99   1.98   1.97   1.95   1.91   1.91   1.90   1.86   1.84   1.84   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83

# Checking swapping
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.545     0    0.631   1.025     8.981   86.429   48.307
LGA    L     6_B      L     6_B     0.179     0    0.047   0.183     0.672  100.000   98.810
LGA    V     7_B      V     7_B     0.213     0    0.087   0.860     2.081  100.000   91.088
LGA    E     8_B      E     8_B     0.303     0    0.048   0.524     2.443   95.238   88.730
LGA    S     9_B      S     9_B     0.620     0    0.058   0.523     1.449   97.619   93.730
LGA    G    10_B      G    10_B     0.179     0    0.674   0.674     2.836   86.905   86.905
LGA    G    11_B      G    11_B     1.415     0    0.047   0.047     1.608   83.810   83.810
LGA    G    12_B      G    12_B     1.171     0    0.056   0.056     1.171   88.214   88.214
LGA    L    13_B      L    13_B     1.172     0    0.028   0.223     2.003   81.429   79.345
LGA    V    14_B      V    14_B     0.917     0    0.062   1.153     2.904   90.476   83.197
LGA    Q    15_B      Q    15_B     0.737     0    0.000   0.274     1.075   90.476   89.471
LGA    A    16_B      A    16_B     0.415     0    0.030   0.038     0.503   97.619   98.095
LGA    G    17_B      G    17_B     0.681     0    0.053   0.053     0.790   90.476   90.476
LGA    G    18_B      G    18_B     0.722     0    0.122   0.122     1.199   88.214   88.214
LGA    S    19_B      S    19_B     0.681     0    0.048   0.088     1.060   95.238   92.143
LGA    L    20_B      L    20_B     0.476     0    0.058   1.276     2.969   90.595   83.155
LGA    G    21_B      G    21_B     0.752     0    0.136   0.136     0.858   92.857   92.857
LGA    L    22_B      L    22_B     0.379     0    0.024   0.049     0.459  100.000  100.000
LGA    S    23_B      S    23_B     0.356     0    0.114   0.463     1.462   97.619   95.317
LGA    C    24_B      C    24_B     0.420     0    0.091   0.129     0.569   97.619   96.825
LGA    A    25_B      A    25_B     0.289     0    0.040   0.038     0.324  100.000  100.000
LGA    A    26_B      A    26_B     0.291     0    0.015   0.023     0.506   97.619   98.095
LGA    S    27_B      S    27_B     0.489     0    0.160   0.256     2.449   88.810   84.921
LGA    G    28_B      G    28_B     1.122     0    0.035   0.035     2.497   77.738   77.738
LGA    R    29_B      R    29_B     4.286     0    0.515   0.674    14.261   43.571   18.268
LGA    T    30_B      T    30_B     0.989     0    0.073   0.167     2.110   83.810   81.701
LGA    F    31_B      F    31_B     1.262     0    0.108   1.351     6.124   85.952   58.831
LGA    S    32_B      S    32_B     0.490     0    0.025   0.103     0.947   95.238   93.651
LGA    N    33_B      N    33_B     0.429     0    0.052   1.122     2.448   95.238   88.810
LGA    Y    34_B      Y    34_B     0.870     0    0.142   0.679     2.070   86.071   83.889
LGA    V    35_B      V    35_B     0.583     0    0.032   0.913     1.999   92.857   86.803
LGA    M    36_B      M    36_B     0.744     0    0.016   0.215     0.863   90.476   91.667
LGA    A    37_B      A    37_B     0.781     0    0.023   0.027     0.856   90.476   90.476
LGA    W    38_B      W    38_B     0.611     0    0.000   0.216     1.024   90.476   90.544
LGA    F    39_B      F    39_B     0.575     0    0.023   0.077     0.958   90.476   90.476
LGA    R    40_B      R    40_B     0.587     0    0.066   0.464     1.526   90.476   85.584
LGA    Q    41_B      Q    41_B     0.772     0    0.047   0.197     1.276   90.476   87.460
LGA    A    42_B      A    42_B     0.877     0    0.045   0.043     0.959   90.476   90.476
LGA    P    43_B      P    43_B     1.088     0    0.114   0.371     1.785   85.952   84.082
LGA    G    44_B      G    44_B     1.680     0    0.037   0.037     1.680   72.857   72.857
LGA    K    45_B      K    45_B     1.489     0    0.064   0.842     3.211   79.286   73.333
LGA    E    46_B      E    46_B     0.998     0    0.053   0.819     3.371   85.952   73.598
LGA    R    47_B      R    47_B     0.926     0    0.055   0.375     2.029   88.214   83.247
LGA    E    48_B      E    48_B     0.571     0    0.017   0.624     1.867   90.476   88.571
LGA    F    49_B      F    49_B     0.583     0    0.050   0.153     0.986   95.238   92.208
LGA    V    50_B      V    50_B     0.432     0    0.052   0.080     0.543   97.619   98.639
LGA    A    51_B      A    51_B     0.552     0    0.041   0.042     0.675   95.238   94.286
LGA    R    52_B      R    52_B     0.294     0    0.080   0.518     2.718  100.000   81.558
LGA    I    53_B      I    53_B     0.695     0    0.068   0.243     0.926   92.857   91.667
LGA    S    54_B      S    54_B     0.507     0    0.261   0.476     2.546   84.048   79.127
LGA    E    55_B      E    55_B     1.508     0    0.121   1.366     8.781   81.667   48.095
LGA    S    56_B      S    56_B     1.045     0    0.415   0.422     2.763   77.619   74.683
LGA    R    57_B      R    57_B     1.321     0    0.125   1.373     6.335   83.690   64.502
LGA    G    58_B      G    58_B     0.214     0    0.108   0.108     0.497  100.000  100.000
LGA    T    59_B      T    59_B     0.369     0    0.090   0.887     2.400   97.619   89.728
LGA    T    60_B      T    60_B     0.412     0    0.087   0.857     2.925   92.976   84.626
LGA    D    61_B      D    61_B     0.423     0    0.048   0.815     4.101  100.000   82.143
LGA    Y    62_B      Y    62_B     0.195     0    0.046   0.091     0.433  100.000  100.000
LGA    A    63_B      A    63_B     0.481     0    0.021   0.026     0.604   95.238   94.286
LGA    D    64_B      D    64_B     0.832     0    0.047   0.106     1.092   90.476   89.345
LGA    S    65_B      S    65_B     1.083     0    0.062   0.143     1.251   83.690   84.444
LGA    V    66_B      V    66_B     0.904     0    0.050   0.152     0.942   90.476   90.476
LGA    K    67_B      K    67_B     0.732     0    0.008   0.911     4.680   90.476   71.640
LGA    G    68_B      G    68_B     1.065     0    0.097   0.097     1.400   85.952   85.952
LGA    R    69_B      R    69_B     0.548     0    0.023   1.386     4.644   95.238   76.667
LGA    F    70_B      F    70_B     0.230     0    0.032   0.124     1.217  100.000   92.338
LGA    T    71_B      T    71_B     0.161     0    0.049   0.100     0.485  100.000  100.000
LGA    I    72_B      I    72_B     0.490     0    0.077   1.050     2.487   95.238   85.238
LGA    S    73_B      S    73_B     0.666     0    0.064   0.704     2.066   90.476   86.190
LGA    R    74_B      R    74_B     0.290     0    0.121   0.788     5.919   97.619   69.004
LGA    D    75_B      D    75_B     0.592     0    0.069   0.544     2.149   92.857   89.643
LGA    N    76_B      N    76_B     0.542     0    0.120   0.148     1.167   88.214   89.345
LGA    A    77_B      A    77_B     0.484     0    0.000   0.000     0.681   97.619   96.190
LGA    K    78_B      K    78_B     0.548     0    0.034   0.185     0.840   92.857   91.534
LGA    N    79_B      N    79_B     0.303     0    0.024   0.481     1.415  100.000   96.488
LGA    T    80_B      T    80_B     0.233     0    0.105   1.267     2.801   97.619   86.395
LGA    I    81_B      I    81_B     0.308     0    0.043   1.206     2.792  100.000   84.881
LGA    Y    82_B      Y    82_B     0.201     0    0.052   0.120     0.799  100.000   96.032
LGA    L    83_B      L    83_B     0.469     0    0.037   0.194     0.707   95.238   96.429
LGA    Q    84_B      Q    84_B     0.531     0    0.035   0.204     1.601   95.238   87.619
LGA    M    85_B      M    85_B     0.344     0    0.065   0.692     1.764  100.000   93.095
LGA    N    86_B      N    86_B     0.318     0    0.018   0.330     0.635  100.000   97.619
LGA    S    87_B      S    87_B     0.411     0    0.023   0.149     0.852   97.619   96.825
LGA    L    88_B      L    88_B     0.189     0    0.058   0.080     0.272  100.000  100.000
LGA    N    89_B      N    89_B     0.298     0    0.053   0.968     3.996   95.238   80.536
LGA    P    90_B      P    90_B     1.386     0    0.065   0.086     1.568   79.286   80.204
LGA    G    91_B      G    91_B     1.521     0    0.025   0.025     1.521   79.286   79.286
LGA    D    92_B      D    92_B     0.887     0    0.032   0.250     1.083   88.214   90.536
LGA    T    93_B      T    93_B     0.984     0    0.043   0.116     1.088   90.476   89.184
LGA    A    94_B      A    94_B     0.905     0    0.049   0.071     0.998   90.476   90.476
LGA    V    95_B      V    95_B     0.514     0    0.047   0.123     0.808   90.476   93.197
LGA    Y    96_B      Y    96_B     0.307     0    0.038   0.078     0.587  100.000   98.413
LGA    S    97_B      S    97_B     0.311     0    0.053   0.705     1.825  100.000   95.476
LGA    C    98_B      C    98_B     0.388     0    0.038   0.675     2.135  100.000   92.540
LGA    A    99_B      A    99_B     0.516     0    0.041   0.052     0.680   92.857   92.381
LGA    A   100_B      A   100_B     0.495     0    0.025   0.026     0.495  100.000  100.000
LGA    T   101_B      T   101_B     0.254     0    0.075   0.127     0.803   97.619   95.918
LGA    L   102_B      L   102_B     1.026     0    0.038   0.190     3.525   88.333   73.155
LGA    P   103_B      P   103_B     2.299     0    0.061   0.091     3.139   66.786   61.701
LGA    A   104_B      A   104_B     1.885     0    0.029   0.036     1.893   75.000   74.571
LGA    W   105_B      W   105_B     1.546     0    0.244   0.801     3.279   70.952   68.503
LGA    T   106_B      T   106_B     3.035     0    0.580   0.522     3.645   53.810   49.320
LGA    G   107_B      G   107_B     3.408     0    0.619   0.619     3.408   51.786   51.786
LGA    I   108_B      I   108_B     5.288     0    0.155   1.742    11.693   30.238   16.250
LGA    I   109_B      I   109_B     6.893     0    0.090   0.204    11.932   11.905    6.250
LGA    G   110_B      G   110_B     7.996     0    0.686   0.686     8.833    7.619    7.619
LGA    G   111_B      G   111_B     7.411     0    0.734   0.734     7.411   13.452   13.452
LGA    R   112_B      R   112_B     4.191     0    0.625   0.910     6.892   25.714   33.723
LGA    R   113_B      R   113_B     6.054     0    0.254   1.286     7.372   22.857   15.887
LGA    P   114_B      P   114_B     5.823     0    0.019   0.025     6.286   21.429   20.204
LGA    G   115_B      G   115_B     6.422     0    0.451   0.451     6.422   30.238   30.238
LGA    N   116_B      N   116_B     1.274     0    0.638   1.049     7.032   79.881   52.560
LGA    Y   117_B      Y   117_B     0.638     0    0.075   0.194     0.950   90.476   90.476
LGA    P   118_B      P   118_B     0.985     0    0.038   0.069     1.279   88.214   89.252
LGA    Y   119_B      Y   119_B     0.146     0    0.028   0.143     1.486  100.000   92.183
LGA    W   120_B      W   120_B     0.242     0    0.049   0.233     1.081   97.619   96.633
LGA    G   121_B      G   121_B     0.514     0    0.134   0.134     1.182   90.595   90.595
LGA    Q   122_B      Q   122_B     0.527     0    0.068   1.151     5.041   92.857   74.127
LGA    G   123_B      G   123_B     0.575     0    0.085   0.085     1.014   88.214   88.214
LGA    T   124_B      T   124_B     0.346     0    0.036   1.013     2.555  100.000   89.864
LGA    Q   125_B      Q   125_B     0.424     0    0.043   0.311     0.894   95.238   96.825
LGA    V   126_B      V   126_B     0.681     0    0.039   0.149     1.026   90.476   90.544
LGA    T   127_B      T   127_B     0.901     0    0.081   0.150     1.320   90.476   89.184
LGA    V   128_B      V   128_B     0.905     0    0.094   0.113     0.964   90.476   90.476
LGA    S   129_B      S   129_B     1.131     0    0.220   0.301     2.337   73.095   75.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.827          1.809                  2.429           85.970   81.283

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    119    1.23    92.000    95.323     8.948

LGA_LOCAL      RMSD:   1.230  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.863  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.827  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.923610 * X  +   0.301953 * Y  +  -0.236153 * Z  + 122.825104
  Y_new =   0.315240 * X  +  -0.948806 * Y  +   0.019748 * Z  +   4.820896
  Z_new =  -0.218101 * X  +  -0.092685 * Y  +  -0.971515 * Z  +   4.831865 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.328915  0.219868 -3.046478   [DEG:   18.8454   12.5975 -174.5503 ]
ZXZ: -1.654228  2.902339 -1.972636   [DEG:  -94.7803  166.2918 -113.0237 ]
 
# END of job
