
#######################################################
#                                                     #
#                        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       1.86     1.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.86     1.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       5_B - 105_B       0.99     1.95
  LCS_AVERAGE:     66.85

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    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    101  125  125      4   79  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    101  125  125     51   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    101  125  125     47   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    101  125  125     35   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    101  125  125     13   93  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    101  125  125      4   17   53  105  110  113  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    101  125  125     23   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    101  125  125      5   89  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    101  125  125     13   93  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    101  125  125     51   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    101  125  125     46   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    101  125  125     51   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    101  125  125     32   88  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    101  125  125     51   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    101  125  125     32   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    101  125  125     10   36   97  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    101  125  125     12   85  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    101  125  125      4   85  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    101  125  125     28   93  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    101  125  125     49   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    101  125  125     52   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    101  125  125     51   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    101  125  125     44   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    101  125  125     19   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    101  125  125     13   75  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    101  125  125     16   88  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    101  125  125     29   90  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    101  125  125     37   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    101  125  125     53   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    101  125  125     52   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    101  125  125     53   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    101  125  125     53   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    101  125  125     53   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    101  125  125     55   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    101  125  125     52   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    101  125  125     28   89  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    101  125  125     28   87  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    101  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    101  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    101  125  125     53   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    101  125  125      3   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    101  125  125      5   11   27  100  111  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    101  125  125     12   50   94  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    101  125  125      8   30   72  107  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B     11  125  125      5   12   24   36   68   98  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      3  125  125      3    7   23   69  104  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    3    4    5    8   16   27   71  120  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3   12   29   75  107  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      5  125  125      3    4    5    6    6    7   10   10   79  117  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B      5  125  125      4    4    5    6   27   57  100  116  118  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B      5  125  125      4    4    5    6    6   49   96  115  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B      5  125  125      4    4    5   31   48   68  110  118  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B      5  125  125      3    4    5   10   48   95  114  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B      4  125  125      4    4    4    8   17   68   85  118  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     14  125  125      9   44  105  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     14  125  125     26   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     14  125  125     13   93  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     14  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     14  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     14  125  125     17   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     14  125  125      7   88  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     14  125  125     26   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     14  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     14  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     14  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     14  125  125     58   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     14  125  125     56   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     14  125  125     53   94  109  112  113  115  117  119  121  122  124  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.95  (  66.85  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     58     94    109    112    113    115    117    119    121    122    124    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  46.40  75.20  87.20  89.60  90.40  92.00  93.60  95.20  96.80  97.60  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.55   0.70   0.80   0.87   1.01   1.16   1.35   1.51   1.57   1.74   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86
GDT RMS_ALL_AT   2.06   2.00   2.00   1.97   1.95   1.93   1.91   1.88   1.87   1.87   1.87   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86

# Checking swapping
#   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     0.185     0    0.658   0.521     9.875   89.286   50.317
LGA    L     6_B      L     6_B     0.431     0    0.027   0.142     0.651   97.619   97.619
LGA    V     7_B      V     7_B     0.403     0    0.103   0.864     2.249  100.000   91.088
LGA    E     8_B      E     8_B     0.466     0    0.050   0.797     3.936   95.238   85.397
LGA    S     9_B      S     9_B     0.397     0    0.050   0.523     1.599  100.000   93.889
LGA    G    10_B      G    10_B     0.474     0    0.678   0.678     3.038   85.119   85.119
LGA    G    11_B      G    11_B     1.181     0    0.057   0.057     1.377   85.952   85.952
LGA    G    12_B      G    12_B     1.041     0    0.043   0.043     1.041   88.214   88.214
LGA    L    13_B      L    13_B     1.165     0    0.034   0.223     2.012   81.429   78.274
LGA    V    14_B      V    14_B     0.862     0    0.081   1.150     2.878   90.476   83.197
LGA    Q    15_B      Q    15_B     0.686     0    0.000   0.238     0.903   90.476   90.476
LGA    A    16_B      A    16_B     0.519     0    0.035   0.042     0.559   92.857   94.286
LGA    G    17_B      G    17_B     0.735     0    0.053   0.053     0.807   90.476   90.476
LGA    G    18_B      G    18_B     0.734     0    0.137   0.137     1.402   88.214   88.214
LGA    S    19_B      S    19_B     0.715     0    0.019   0.725     1.638   95.238   90.714
LGA    L    20_B      L    20_B     0.369     0    0.044   1.281     3.124   90.595   83.452
LGA    G    21_B      G    21_B     0.939     0    0.142   0.142     0.939   90.476   90.476
LGA    L    22_B      L    22_B     0.411     0    0.025   0.047     0.559   97.619   98.810
LGA    S    23_B      S    23_B     0.293     0    0.119   0.462     1.881   97.619   93.889
LGA    C    24_B      C    24_B     0.660     0    0.094   0.121     0.820   90.476   90.476
LGA    A    25_B      A    25_B     0.431     0    0.033   0.031     0.513  100.000   98.095
LGA    A    26_B      A    26_B     0.196     0    0.035   0.040     0.346  100.000  100.000
LGA    S    27_B      S    27_B     0.454     0    0.129   0.198     2.396   88.810   83.571
LGA    G    28_B      G    28_B     1.394     0    0.058   0.058     2.173   77.738   77.738
LGA    R    29_B      R    29_B     3.886     0    0.488   0.956    14.150   48.452   21.169
LGA    T    30_B      T    30_B     0.905     0    0.632   0.517     2.615   79.881   80.748
LGA    F    31_B      F    31_B     1.629     0    0.042   0.058     2.028   79.405   73.766
LGA    S    32_B      S    32_B     1.230     0    0.025   0.578     2.807   85.952   78.968
LGA    N    33_B      N    33_B     0.209     0    0.036   1.121     2.727   95.238   88.869
LGA    Y    34_B      Y    34_B     0.632     0    0.138   0.307     1.264   90.595   92.103
LGA    V    35_B      V    35_B     0.435     0    0.024   0.916     2.059   95.238   87.211
LGA    M    36_B      M    36_B     0.864     0    0.024   0.200     0.996   90.476   90.476
LGA    A    37_B      A    37_B     0.945     0    0.026   0.041     1.053   85.952   86.857
LGA    W    38_B      W    38_B     0.783     0    0.000   0.302     1.578   90.476   89.320
LGA    F    39_B      F    39_B     0.639     0    0.023   0.090     0.987   90.476   90.476
LGA    R    40_B      R    40_B     0.626     0    0.063   0.467     1.416   90.476   88.009
LGA    Q    41_B      Q    41_B     0.739     0    0.048   0.203     1.158   90.476   88.466
LGA    A    42_B      A    42_B     0.843     0    0.045   0.040     0.930   90.476   90.476
LGA    P    43_B      P    43_B     1.138     0    0.109   0.367     1.686   85.952   84.082
LGA    G    44_B      G    44_B     1.825     0    0.043   0.043     1.825   72.857   72.857
LGA    K    45_B      K    45_B     1.567     0    0.062   0.891     4.632   77.143   65.397
LGA    E    46_B      E    46_B     1.019     0    0.046   0.825     3.472   81.429   71.587
LGA    R    47_B      R    47_B     0.934     0    0.060   0.381     2.146   88.214   82.468
LGA    E    48_B      E    48_B     0.537     0    0.019   0.632     1.865   90.476   88.571
LGA    F    49_B      F    49_B     0.569     0    0.053   0.206     1.312   92.857   89.697
LGA    V    50_B      V    50_B     0.477     0    0.044   0.063     0.612   92.857   94.558
LGA    A    51_B      A    51_B     0.669     0    0.052   0.058     0.718   92.857   92.381
LGA    R    52_B      R    52_B     0.685     0    0.041   1.156     6.617   90.476   70.346
LGA    I    53_B      I    53_B     0.680     0    0.074   0.252     1.163   95.238   91.726
LGA    S    54_B      S    54_B     0.684     0    0.220   0.497     2.518   88.452   82.063
LGA    E    55_B      E    55_B     2.007     0    0.064   1.337     9.558   70.833   40.794
LGA    S    56_B      S    56_B     1.152     0    0.415   0.430     1.759   81.548   78.651
LGA    R    57_B      R    57_B     1.286     0    0.141   1.349     6.862   83.810   62.511
LGA    G    58_B      G    58_B     0.745     0    0.104   0.104     0.905   90.476   90.476
LGA    T    59_B      T    59_B     0.246     0    0.082   0.895     1.972  100.000   92.245
LGA    T    60_B      T    60_B     0.184     0    0.056   0.282     0.939   97.619   95.918
LGA    D    61_B      D    61_B     0.238     0    0.045   0.653     3.100  100.000   84.762
LGA    Y    62_B      Y    62_B     0.472     0    0.051   0.148     0.745   95.238   93.651
LGA    A    63_B      A    63_B     0.873     0    0.017   0.017     1.069   85.952   86.857
LGA    D    64_B      D    64_B     1.319     0    0.040   0.101     1.514   81.429   80.357
LGA    S    65_B      S    65_B     1.672     0    0.078   0.155     1.871   72.857   72.857
LGA    V    66_B      V    66_B     1.475     0    0.060   0.173     1.577   81.429   78.980
LGA    K    67_B      K    67_B     1.065     0    0.006   0.934     4.700   81.429   66.614
LGA    G    68_B      G    68_B     1.481     0    0.097   0.097     1.859   79.286   79.286
LGA    R    69_B      R    69_B     1.100     0    0.029   1.293     5.143   83.690   69.957
LGA    F    70_B      F    70_B     0.750     0    0.055   0.301     2.234   90.476   83.290
LGA    T    71_B      T    71_B     0.434     0    0.032   0.107     0.664   95.238   95.918
LGA    I    72_B      I    72_B     0.413     0    0.015   0.173     0.637  100.000   98.810
LGA    S    73_B      S    73_B     0.339     0    0.031   0.075     0.547  100.000   98.413
LGA    R    74_B      R    74_B     0.345     0    0.028   1.289     7.049  100.000   69.481
LGA    D    75_B      D    75_B     0.210     0    0.056   0.702     1.680  100.000   92.024
LGA    N    76_B      N    76_B     0.359     0    0.134   1.082     4.185   92.976   76.190
LGA    A    77_B      A    77_B     0.295     0    0.080   0.088     0.423  100.000  100.000
LGA    K    78_B      K    78_B     0.491     0    0.085   0.179     0.913   97.619   95.767
LGA    N    79_B      N    79_B     0.294     0    0.021   0.390     1.584  100.000   94.226
LGA    T    80_B      T    80_B     0.428     0    0.113   1.273     2.900   97.619   87.483
LGA    I    81_B      I    81_B     0.671     0    0.061   1.517     4.305   90.476   76.429
LGA    Y    82_B      Y    82_B     0.421     0    0.042   0.112     0.474  100.000  100.000
LGA    L    83_B      L    83_B     0.658     0    0.033   0.174     1.032   90.476   90.536
LGA    Q    84_B      Q    84_B     0.719     0    0.028   0.098     1.271   92.857   90.529
LGA    M    85_B      M    85_B     0.448     0    0.080   0.564     1.212   95.238   89.464
LGA    N    86_B      N    86_B     0.447     0    0.017   0.318     0.688  100.000   97.619
LGA    S    87_B      S    87_B     0.501     0    0.028   0.148     0.894   95.238   93.651
LGA    L    88_B      L    88_B     0.273     0    0.064   0.085     0.394  100.000  100.000
LGA    N    89_B      N    89_B     0.252     0    0.056   0.967     3.960   95.238   80.536
LGA    P    90_B      P    90_B     1.352     0    0.063   0.083     1.530   79.286   80.204
LGA    G    91_B      G    91_B     1.447     0    0.027   0.027     1.447   81.429   81.429
LGA    D    92_B      D    92_B     0.801     0    0.029   0.265     1.002   88.214   91.726
LGA    T    93_B      T    93_B     0.901     0    0.044   0.114     1.005   90.476   89.184
LGA    A    94_B      A    94_B     0.821     0    0.052   0.074     0.926   90.476   90.476
LGA    V    95_B      V    95_B     0.409     0    0.051   0.124     0.748   95.238   97.279
LGA    Y    96_B      Y    96_B     0.245     0    0.044   0.093     0.517   97.619   99.206
LGA    S    97_B      S    97_B     0.339     0    0.072   0.713     1.911   97.619   93.889
LGA    C    98_B      C    98_B     0.387     0    0.058   0.678     2.299  100.000   92.540
LGA    A    99_B      A    99_B     0.573     0    0.027   0.035     0.795   90.476   90.476
LGA    A   100_B      A   100_B     0.639     0    0.034   0.033     0.639   90.476   90.476
LGA    T   101_B      T   101_B     0.613     0    0.072   0.179     1.481   95.238   90.612
LGA    L   102_B      L   102_B     1.093     0    0.043   0.192     3.388   86.071   74.702
LGA    P   103_B      P   103_B     3.012     0    0.708   0.659     4.886   49.048   48.571
LGA    A   104_B      A   104_B     2.290     0    0.068   0.075     2.745   62.857   64.857
LGA    W   105_B      W   105_B     3.264     0    0.291   0.468     6.720   41.429   39.524
LGA    T   106_B      T   106_B     5.107     0    0.093   1.244     7.123   27.262   23.810
LGA    G   107_B      G   107_B     4.744     0    0.570   0.570     4.744   35.714   35.714
LGA    I   108_B      I   108_B     6.044     0    0.170   0.236    12.361   27.976   14.464
LGA    I   109_B      I   109_B     4.270     0    0.279   1.195     7.166   35.833   35.000
LGA    G   110_B      G   110_B     7.897     0    0.652   0.652     7.897   13.690   13.690
LGA    G   111_B      G   111_B     5.304     0    0.154   0.154     5.679   25.119   25.119
LGA    R   112_B      R   112_B     5.099     0    0.072   0.425     8.471   25.238   17.056
LGA    R   113_B      R   113_B     5.840     0    0.304   1.314     7.140   25.119   19.091
LGA    P   114_B      P   114_B     5.417     0    0.501   0.520     6.159   25.000   22.245
LGA    G   115_B      G   115_B     6.418     0    0.716   0.716     6.418   28.690   28.690
LGA    N   116_B      N   116_B     1.910     0    0.582   0.743     8.345   71.429   46.905
LGA    Y   117_B      Y   117_B     0.868     0    0.112   0.351     1.319   85.952   84.444
LGA    P   118_B      P   118_B     1.026     0    0.029   0.084     1.185   85.952   87.959
LGA    Y   119_B      Y   119_B     0.223     0    0.041   0.215     1.351  100.000   92.222
LGA    W   120_B      W   120_B     0.389     0    0.081   0.262     1.220   95.238   93.946
LGA    G   121_B      G   121_B     0.783     0    0.057   0.057     0.783   92.857   92.857
LGA    Q   122_B      Q   122_B     1.512     0    0.644   1.285     4.614   62.619   61.270
LGA    G   123_B      G   123_B     0.980     0    0.165   0.165     1.098   88.214   88.214
LGA    T   124_B      T   124_B     0.422     0    0.041   1.033     2.666  100.000   88.639
LGA    Q   125_B      Q   125_B     0.378     0    0.041   0.313     0.743   97.619   97.884
LGA    V   126_B      V   126_B     0.627     0    0.038   0.154     1.051   90.476   90.544
LGA    T   127_B      T   127_B     0.867     0    0.080   0.145     1.278   90.476   89.184
LGA    V   128_B      V   128_B     0.862     0    0.071   0.086     0.924   90.476   90.476
LGA    S   129_B      S   129_B     1.025     0    0.181   0.279     1.869   79.405   81.587

# 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):     1.863          1.831                  2.486           84.093   79.703

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    119    1.35    90.000    94.326     8.228

LGA_LOCAL      RMSD:   1.346  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.885  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.863  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.594068 * X  +   0.656258 * Y  +   0.465197 * Z  + 128.489426
  Y_new =  -0.757631 * X  +  -0.262122 * Y  +  -0.597734 * Z  +   7.350506
  Z_new =  -0.270329 * X  +  -0.707543 * Y  +   0.652920 * Z  +   6.791410 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.235774  0.273735 -0.825527   [DEG: -128.1004   15.6839  -47.2992 ]
ZXZ:  0.661348  0.859363 -2.776640   [DEG:   37.8925   49.2378 -159.0898 ]
 
# END of job
