
#######################################################
#                                                     #
#                        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  140 ( 1064),  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       1.40     1.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.40     1.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       5_B - 104_B       0.96     1.44
  LCS_AVERAGE:     66.53

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    100  125  125     72  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    100  125  125     64  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    100  125  125     70  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    100  125  125      4  108  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    100  125  125     73  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    100  125  125     63  108  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    100  125  125     72  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    100  125  125     72  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    100  125  125     72  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    100  125  125     33  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    100  125  125      5   76  109  116  116  118  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    100  125  125     20  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    100  125  125      7  108  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    100  125  125     47  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    100  125  125     49  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    100  125  125     52  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    100  125  125     63  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    100  125  125     73  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    100  125  125     73  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    100  125  125     31  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    100  125  125      3   15   76  114  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    100  125  125     43  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    100  125  125     44  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    100  125  125     63  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    100  125  125     39  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    100  125  125     62  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    100  125  125     63  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    100  125  125     62  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    100  125  125     67  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    100  125  125     69  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    100  125  125     69  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    100  125  125     18  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    100  125  125     72  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    100  125  125     70  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    100  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    100  125  125     51  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    100  125  125     16   69  110  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    100  125  125      5    8   10   32   90  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    100  125  125      5   14   43  105  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      9  125  125      5    8   32   64  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      9  125  125      5    8   10   17   38   79  118  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      4  125  125      3    6   19   34   84  119  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      4  125  125      3    4   31   72  113  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      4  125  125      3    4    6   19   25   72  101  122  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      4  125  125      3    4    6   61  116  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125      4   37  112  116  116  118  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     60  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     39  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     55  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     49  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     65  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     47  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     74  110  113  116  117  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.84  (  66.53  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     74    110    113    116    117    120    122    124    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  59.20  88.00  90.40  92.80  93.60  96.00  97.60  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.55   0.63   0.84   1.10   1.13   1.32   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40
GDT RMS_ALL_AT   1.56   1.49   1.49   1.50   1.44   1.41   1.41   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  F    39_B      F    39_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.495     0    0.651   0.494     9.980   91.190   51.164
LGA    L     6_B      L     6_B     0.693     0    0.047   0.159     0.923   90.476   90.476
LGA    V     7_B      V     7_B     0.677     0    0.129   0.874     2.435   92.857   85.646
LGA    E     8_B      E     8_B     0.782     0    0.043   0.246     1.013   88.214   89.471
LGA    S     9_B      S     9_B     0.598     0    0.047   0.537     2.089   95.238   89.365
LGA    G    10_B      G    10_B     0.603     0    0.673   0.673     3.196   82.738   82.738
LGA    G    11_B      G    11_B     1.202     0    0.000   0.000     1.424   85.952   85.952
LGA    G    12_B      G    12_B     0.985     0    0.011   0.011     0.985   90.476   90.476
LGA    L    13_B      L    13_B     1.204     0    0.054   0.222     2.280   81.429   78.274
LGA    V    14_B      V    14_B     0.808     0    0.036   1.181     3.029   90.476   82.177
LGA    Q    15_B      Q    15_B     0.497     0    0.022   1.346     5.346   97.619   75.873
LGA    A    16_B      A    16_B     0.407     0    0.027   0.040     0.512   97.619   96.190
LGA    G    17_B      G    17_B     0.430     0    0.075   0.075     0.520   97.619   97.619
LGA    G    18_B      G    18_B     0.345     0    0.101   0.101     1.163   95.357   95.357
LGA    S    19_B      S    19_B     0.295     0    0.052   0.095     0.611   97.619   96.825
LGA    L    20_B      L    20_B     0.199     0    0.026   1.134     2.347  100.000   90.000
LGA    G    21_B      G    21_B     0.367     0    0.089   0.089     0.438  100.000  100.000
LGA    L    22_B      L    22_B     0.293     0    0.024   0.069     0.410  100.000  100.000
LGA    S    23_B      S    23_B     0.456     0    0.020   0.121     0.728   95.238   93.651
LGA    C    24_B      C    24_B     0.713     0    0.071   0.084     0.939   90.476   90.476
LGA    A    25_B      A    25_B     0.662     0    0.058   0.070     0.668   92.857   92.381
LGA    A    26_B      A    26_B     0.853     0    0.017   0.015     0.944   90.476   90.476
LGA    S    27_B      S    27_B     0.711     0    0.182   0.288     2.622   79.881   80.476
LGA    G    28_B      G    28_B     1.193     0    0.102   0.102     3.011   71.667   71.667
LGA    R    29_B      R    29_B     2.783     0    0.493   0.851     5.848   54.048   38.918
LGA    T    30_B      T    30_B     0.990     0    0.080   0.332     2.944   79.524   75.646
LGA    F    31_B      F    31_B     1.185     0    0.022   0.034     1.251   85.952   83.896
LGA    S    32_B      S    32_B     0.684     0    0.067   0.067     0.877   90.476   90.476
LGA    N    33_B      N    33_B     0.595     0    0.041   1.120     2.737   90.476   84.107
LGA    Y    34_B      Y    34_B     0.872     0    0.062   0.222     1.025   90.476   89.722
LGA    V    35_B      V    35_B     0.850     0    0.035   0.891     2.331   90.476   84.286
LGA    M    36_B      M    36_B     0.819     0    0.018   0.269     0.927   90.476   91.667
LGA    A    37_B      A    37_B     0.704     0    0.011   0.015     0.804   90.476   90.476
LGA    W    38_B      W    38_B     0.470     0    0.012   0.049     0.508   97.619   99.320
LGA    F    39_B      F    39_B     0.524     0    0.035   0.067     1.006   97.619   92.251
LGA    R    40_B      R    40_B     0.431     0    0.020   0.172     1.003   95.238   93.983
LGA    Q    41_B      Q    41_B     0.702     0    0.037   0.260     1.947   90.476   85.556
LGA    A    42_B      A    42_B     0.675     0    0.000   0.000     0.788   90.476   90.476
LGA    P    43_B      P    43_B     0.955     0    0.084   0.326     1.090   92.857   89.252
LGA    G    44_B      G    44_B     1.068     0    0.100   0.100     1.068   83.690   83.690
LGA    K    45_B      K    45_B     1.104     0    0.072   0.837     3.621   85.952   73.862
LGA    E    46_B      E    46_B     0.773     0    0.052   0.366     2.128   90.476   81.693
LGA    R    47_B      R    47_B     0.825     0    0.050   0.709     1.695   90.476   85.584
LGA    E    48_B      E    48_B     0.512     0    0.015   0.541     1.496   95.238   90.582
LGA    F    49_B      F    49_B     0.388     0    0.029   0.064     0.598  100.000   95.671
LGA    V    50_B      V    50_B     0.245     0    0.037   0.085     0.303  100.000  100.000
LGA    A    51_B      A    51_B     0.422     0    0.030   0.040     0.523  100.000   98.095
LGA    R    52_B      R    52_B     0.274     0    0.079   0.926     2.260  100.000   87.576
LGA    I    53_B      I    53_B     0.495     0    0.038   0.211     0.949   97.619   95.238
LGA    S    54_B      S    54_B     0.327     0    0.015   0.142     1.158   95.238   92.143
LGA    E    55_B      E    55_B     0.798     0    0.695   0.907     3.478   80.476   74.656
LGA    S    56_B      S    56_B     2.822     0    0.353   0.367     4.639   66.905   56.032
LGA    R    57_B      R    57_B     0.533     0    0.060   0.757     6.865   85.952   59.827
LGA    G    58_B      G    58_B     1.035     0    0.044   0.044     1.414   85.952   85.952
LGA    T    59_B      T    59_B     0.881     0    0.083   0.847     2.756   90.476   83.197
LGA    T    60_B      T    60_B     0.522     0    0.013   0.202     0.868   90.476   91.837
LGA    D    61_B      D    61_B     0.438     0    0.063   0.192     0.946   97.619   96.429
LGA    Y    62_B      Y    62_B     0.329     0    0.023   0.042     0.507   97.619   99.206
LGA    A    63_B      A    63_B     0.337     0    0.017   0.016     0.426  100.000  100.000
LGA    D    64_B      D    64_B     0.706     0    0.085   0.141     1.225   90.476   89.345
LGA    S    65_B      S    65_B     0.906     0    0.017   0.085     0.993   90.476   90.476
LGA    V    66_B      V    66_B     0.869     0    0.031   0.143     0.992   90.476   90.476
LGA    K    67_B      K    67_B     0.939     0    0.017   0.766     3.512   90.476   77.725
LGA    G    68_B      G    68_B     0.848     0    0.084   0.084     1.012   88.214   88.214
LGA    R    69_B      R    69_B     0.358     0    0.066   0.180     0.489  100.000  100.000
LGA    F    70_B      F    70_B     0.129     0    0.000   0.085     0.396  100.000  100.000
LGA    T    71_B      T    71_B     0.217     0    0.021   0.124     0.570  100.000   98.639
LGA    I    72_B      I    72_B     0.302     0    0.017   0.160     0.465  100.000  100.000
LGA    S    73_B      S    73_B     0.228     0    0.028   0.086     0.566  100.000   98.413
LGA    R    74_B      R    74_B     0.392     0    0.042   0.404     1.657  100.000   93.203
LGA    D    75_B      D    75_B     0.382     0    0.046   0.651     1.865  100.000   91.905
LGA    N    76_B      N    76_B     0.443     0    0.120   0.115     1.015   92.976   94.107
LGA    A    77_B      A    77_B     0.446     0    0.010   0.021     0.740   95.238   96.190
LGA    K    78_B      K    78_B     0.889     0    0.031   0.903     2.066   90.476   82.646
LGA    N    79_B      N    79_B     0.365     0    0.016   0.294     1.080  100.000   96.488
LGA    T    80_B      T    80_B     0.607     0    0.057   1.238     3.083   92.857   82.381
LGA    I    81_B      I    81_B     0.674     0    0.006   0.328     1.310   90.476   89.345
LGA    Y    82_B      Y    82_B     0.382     0    0.043   0.101     0.674  100.000   98.413
LGA    L    83_B      L    83_B     0.295     0    0.018   0.155     0.386  100.000  100.000
LGA    Q    84_B      Q    84_B     0.409     0    0.045   0.100     1.017  100.000   94.762
LGA    M    85_B      M    85_B     0.236     0    0.058   0.720     2.160   97.619   93.214
LGA    N    86_B      N    86_B     0.294     0    0.000   0.268     0.623  100.000   98.810
LGA    S    87_B      S    87_B     0.478     0    0.004   0.163     0.955  100.000   98.413
LGA    L    88_B      L    88_B     0.442     0    0.099   0.124     0.658   95.238   97.619
LGA    N    89_B      N    89_B     0.907     0    0.011   0.264     1.193   90.476   89.345
LGA    P    90_B      P    90_B     0.985     0    0.020   0.043     1.064   90.476   86.599
LGA    G    91_B      G    91_B     0.949     0    0.035   0.035     1.017   88.214   88.214
LGA    D    92_B      D    92_B     0.679     0    0.019   0.128     0.776   90.476   90.476
LGA    T    93_B      T    93_B     0.670     0    0.021   0.077     0.814   90.476   90.476
LGA    A    94_B      A    94_B     0.598     0    0.024   0.025     0.672   92.857   92.381
LGA    V    95_B      V    95_B     0.267     0    0.021   0.092     0.430  100.000  100.000
LGA    Y    96_B      Y    96_B     0.179     0    0.026   0.064     0.337  100.000  100.000
LGA    S    97_B      S    97_B     0.290     0    0.023   0.039     0.457  100.000  100.000
LGA    C    98_B      C    98_B     0.573     0    0.024   0.066     0.737   92.857   92.063
LGA    A    99_B      A    99_B     0.666     0    0.031   0.042     0.817   90.476   90.476
LGA    A   100_B      A   100_B     0.997     0    0.015   0.020     1.121   85.952   85.048
LGA    T   101_B      T   101_B     1.273     0    0.024   1.147     3.874   79.286   72.381
LGA    L   102_B      L   102_B     2.084     0    0.017   0.224     5.116   70.952   55.536
LGA    P   103_B      P   103_B     4.779     0    0.077   0.293     6.259   33.095   28.299
LGA    A   104_B      A   104_B     3.722     0    0.032   0.031     4.267   41.786   43.429
LGA    W   105_B      W   105_B     3.366     0    0.133   0.206     5.998   43.929   41.224
LGA    T   106_B      T   106_B     5.576     0    0.026   0.138     6.618   21.905   20.476
LGA    G   107_B      G   107_B     4.953     0    0.561   0.561     4.953   39.048   39.048
LGA    I   108_B      I   108_B     4.069     0    0.023   0.284     7.232   34.524   26.607
LGA    I   109_B      I   109_B     5.629     0    0.057   1.028    10.136   27.619   15.476
LGA    G   110_B      G   110_B     4.062     0    0.406   0.406     4.062   47.143   47.143
LGA    G   111_B      G   111_B     2.263     0    0.670   0.670     2.263   75.238   75.238
LGA    R   112_B      R   112_B     0.585     0    0.023   0.393     1.041   90.595   89.740
LGA    R   113_B      R   113_B     0.879     0    0.053   0.170     3.016   90.476   75.152
LGA    P   114_B      P   114_B     0.879     0    0.035   0.336     1.238   90.476   90.544
LGA    G   115_B      G   115_B     0.919     0    0.051   0.051     0.919   90.476   90.476
LGA    N   116_B      N   116_B     0.633     0    0.067   0.113     1.250   90.476   87.083
LGA    Y   117_B      Y   117_B     0.580     0    0.015   0.118     1.137   90.476   88.968
LGA    P   118_B      P   118_B     0.810     0    0.030   0.063     1.029   90.476   87.891
LGA    Y   119_B      Y   119_B     0.652     0    0.016   0.136     0.740   90.476   91.270
LGA    W   120_B      W   120_B     0.661     0    0.065   0.188     1.338   90.476   88.537
LGA    G   121_B      G   121_B     0.755     0    0.019   0.019     0.858   90.476   90.476
LGA    Q   122_B      Q   122_B     0.885     0    0.015   1.572     7.831   90.476   59.894
LGA    G   123_B      G   123_B     0.445     0    0.119   0.119     1.004   92.976   92.976
LGA    T   124_B      T   124_B     0.248     0    0.025   0.168     0.651  100.000   98.639
LGA    Q   125_B      Q   125_B     0.411     0    0.020   0.219     0.914  100.000   96.825
LGA    V   126_B      V   126_B     0.532     0    0.034   0.107     0.724   90.476   93.197
LGA    T   127_B      T   127_B     0.923     0    0.039   0.093     1.381   90.476   87.891
LGA    V   128_B      V   128_B     0.767     0    0.046   0.085     0.917   90.476   90.476
LGA    S   129_B      S   129_B     0.802     0    0.118   0.610     2.235   83.810   81.746

# 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):     1.401          1.406                  1.851           88.253   84.804

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    124    1.32    95.000    96.986     8.763

LGA_LOCAL      RMSD:   1.315  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.403  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.401  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.493181 * X  +  -0.742342 * Y  +   0.453542 * Z  + 125.774956
  Y_new =  -0.816221 * X  +  -0.575216 * Y  +  -0.053937 * Z  +   6.430057
  Z_new =   0.300925 * X  +  -0.343590 * Y  +  -0.889601 * Z  + -20.125866 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.027276 -0.305662 -2.773014   [DEG:  -58.8586  -17.5132 -158.8820 ]
ZXZ:  1.452428  2.667268  2.422295   [DEG:   83.2180  152.8232  138.7873 ]
 
# END of job
