
#######################################################
#                                                     #
#                        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  128 (  964),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.70     0.70
  LCS_AVERAGE:    100.00

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     L     5_A     L     5_A    125  125  125      5   74  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    125  125  125      5   68  111  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    125  125  125     47  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    125  125  125     44  109  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    125  125  125     60  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    125  125  125     27  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    125  125  125     63  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    125  125  125     60  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    125  125  125     60  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    125  125  125     56  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    125  125  125     68  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    125  125  125     63  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    125  125  125     62  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    125  125  125     62  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    125  125  125     62  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    125  125  125     56  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    125  125  125     56  110  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    125  125  125     60  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    125  125  125     69  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    125  125  125     63  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    125  125  125      4  106  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    125  125  125      4   88  118  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    125  125  125     57  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    125  125  125     69  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    125  125  125     63  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    125  125  125     60  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    125  125  125     72  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    125  125  125     64  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    125  125  125     63  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    125  125  125     47  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    125  125  125     47  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    125  125  125     20   94  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    125  125  125      9   85  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    125  125  125     42   99  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    125  125  125     42  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    125  125  125     12  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    125  125  125      4   85  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    125  125  125      3  110  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    125  125  125     59  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    125  125  125     65  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    125  125  125     67  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    125  125  125     68  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    125  125  125     68  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    125  125  125     73  111  122  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     73    111    122    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  58.40  88.80  97.60 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.52   0.63   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70
GDT RMS_ALL_AT   0.77   0.72   0.71   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     1.736     0    0.053   1.016     2.900   70.833   66.905
LGA    K     6_A      K     6_A     2.202     0    0.122   0.635     3.315   68.810   63.228
LGA    C     7_A      C     7_A     1.202     0    0.042   0.667     2.328   81.429   80.159
LGA    T     8_A      T     8_A     1.229     0    0.029   0.074     1.773   81.429   80.204
LGA    F     9_A      F     9_A     0.734     0    0.040   0.143     0.931   90.476   90.476
LGA    S    10_A      S    10_A     1.064     0    0.049   0.621     1.991   88.214   84.524
LGA    A    11_A      A    11_A     0.477     0    0.033   0.049     0.686   97.619   98.095
LGA    P    12_A      P    12_A     0.758     0    0.013   0.269     1.058   90.476   89.184
LGA    S    13_A      S    13_A     0.637     0    0.049   0.180     0.679   90.476   92.063
LGA    H    14_A      H    14_A     0.428     0    0.016   0.103     0.597   97.619   99.048
LGA    S    15_A      S    15_A     0.632     0    0.061   0.172     0.961   90.476   90.476
LGA    T    16_A      T    16_A     0.862     0    0.034   0.107     1.066   90.476   86.599
LGA    S    17_A      S    17_A     0.674     0    0.036   0.041     0.743   90.476   90.476
LGA    L    18_A      L    18_A     0.424     0    0.016   0.241     0.955   92.857   95.238
LGA    L    19_A      L    19_A     0.578     0    0.024   0.050     0.642   90.476   90.476
LGA    Q    20_A      Q    20_A     0.755     0    0.035   0.737     2.955   90.476   81.852
LGA    G    21_A      G    21_A     0.688     0    0.040   0.040     0.706   90.476   90.476
LGA    L    22_A      L    22_A     0.582     0    0.013   0.074     0.669   90.476   92.857
LGA    A    23_A      A    23_A     0.678     0    0.021   0.028     0.750   90.476   90.476
LGA    T    24_A      T    24_A     0.817     0    0.075   1.122     3.308   90.476   82.177
LGA    L    25_A      L    25_A     0.793     0    0.015   0.144     1.154   90.476   89.345
LGA    R    26_A      R    26_A     0.701     0    0.023   0.264     1.107   90.476   92.251
LGA    A    27_A      A    27_A     0.911     0    0.019   0.025     0.980   90.476   90.476
LGA    Q    28_A      Q    28_A     1.049     0    0.011   1.008     3.266   81.429   79.947
LGA    G    29_A      G    29_A     1.100     0    0.063   0.063     1.205   81.429   81.429
LGA    Q    30_A      Q    30_A     0.820     0    0.023   0.798     3.021   90.476   80.159
LGA    L    31_A      L    31_A     0.650     0    0.017   0.096     0.987   90.476   90.476
LGA    L    32_A      L    32_A     0.480     0    0.063   0.129     0.563   95.238   92.857
LGA    D    33_A      D    33_A     0.525     0    0.024   0.090     0.525   97.619   98.810
LGA    V    34_A      V    34_A     0.194     0    0.031   0.080     0.401  100.000  100.000
LGA    V    35_A      V    35_A     0.174     0    0.022   0.043     0.371  100.000  100.000
LGA    L    36_A      L    36_A     0.315     0    0.027   0.086     0.416  100.000  100.000
LGA    T    37_A      T    37_A     0.290     0    0.033   0.133     0.424  100.000  100.000
LGA    I    38_A      I    38_A     0.461     0    0.035   0.051     0.731   95.238   97.619
LGA    N    39_A      N    39_A     1.335     0    0.056   0.191     1.572   81.548   81.488
LGA    R    40_A      R    40_A     1.671     0    0.042   1.340     5.535   77.143   61.385
LGA    E    41_A      E    41_A     0.824     0    0.085   0.653     1.711   88.214   85.503
LGA    A    42_A      A    42_A     0.192     0    0.036   0.035     0.699   97.619   98.095
LGA    F    43_A      F    43_A     0.510     0    0.018   0.084     1.164   97.619   91.429
LGA    P    44_A      P    44_A     0.516     0    0.027   0.324     1.718   90.476   87.959
LGA    A    45_A      A    45_A     0.325     0    0.018   0.034     0.449  100.000  100.000
LGA    H    46_A      H    46_A     0.287     0    0.019   0.151     0.565  100.000   98.095
LGA    K    47_A      K    47_A     0.265     0    0.033   0.159     0.519  100.000   98.942
LGA    V    48_A      V    48_A     0.169     0    0.067   0.078     0.523  100.000   98.639
LGA    V    49_A      V    49_A     0.354     0    0.009   0.045     0.481  100.000  100.000
LGA    L    50_A      L    50_A     0.411     0    0.012   0.087     0.943   97.619   95.238
LGA    A    51_A      A    51_A     0.326     0    0.023   0.024     0.343  100.000  100.000
LGA    A    52_A      A    52_A     0.465     0    0.102   0.116     0.798   95.238   94.286
LGA    C    53_A      C    53_A     0.858     0    0.139   0.152     1.497   92.857   89.048
LGA    S    54_A      S    54_A     0.672     0    0.023   0.093     1.062   95.238   92.143
LGA    D    55_A      D    55_A     0.612     0    0.069   0.324     1.635   95.238   88.393
LGA    Y    56_A      Y    56_A     0.438     0    0.017   0.045     0.788  100.000   93.651
LGA    F    57_A      F    57_A     0.359     0    0.022   0.051     0.819  100.000   94.805
LGA    R    58_A      R    58_A     0.281     0    0.044   1.013     6.447  100.000   74.242
LGA    A    59_A      A    59_A     0.425     0    0.025   0.027     0.614   95.238   96.190
LGA    M    60_A      M    60_A     0.516     0    0.026   0.086     0.746   92.857   94.048
LGA    F    61_A      F    61_A     0.715     0    0.040   0.061     0.998   90.476   90.476
LGA    T    62_A      T    62_A     0.914     0    0.044   0.066     1.109   85.952   87.891
LGA    G    63_A      G    63_A     1.396     0    0.676   0.676     3.611   69.762   69.762
LGA    G    64_A      G    64_A     1.599     0    0.019   0.019     1.745   75.000   75.000
LGA    M    65_A      M    65_A     1.222     0    0.026   0.852     2.635   81.429   78.571
LGA    R    66_A      R    66_A     1.075     0    0.023   1.053     5.068   85.952   69.394
LGA    E    67_A      E    67_A     0.634     0    0.031   0.269     2.113   90.476   86.667
LGA    A    68_A      A    68_A     0.861     0    0.084   0.091     0.966   90.476   90.476
LGA    S    69_A      S    69_A     0.606     0    0.007   0.049     0.716   95.238   93.651
LGA    Q    70_A      Q    70_A     0.402     0    0.042   0.125     0.694   97.619   95.767
LGA    D    71_A      D    71_A     0.400     0    0.059   0.183     0.820  100.000   95.238
LGA    V    72_A      V    72_A     0.247     0    0.034   0.040     0.362  100.000  100.000
LGA    I    73_A      I    73_A     0.225     0    0.015   0.046     0.235  100.000  100.000
LGA    E    74_A      E    74_A     0.336     0    0.049   0.276     0.652   97.619   95.767
LGA    L    75_A      L    75_A     0.313     0    0.192   0.234     0.846   97.619   98.810
LGA    K    76_A      K    76_A     0.989     0    0.054   0.595     1.426   88.214   87.460
LGA    G    77_A      G    77_A     1.490     0    0.063   0.063     1.747   79.286   79.286
LGA    V    78_A      V    78_A     1.099     0    0.035   0.152     1.618   88.333   82.925
LGA    S    79_A      S    79_A     0.902     0    0.096   0.510     1.733   90.476   89.127
LGA    A    80_A      A    80_A     0.646     0    0.039   0.039     0.755   90.476   90.476
LGA    R    81_A      R    81_A     0.391     0    0.024   1.109     4.039  100.000   86.061
LGA    G    82_A      G    82_A     0.140     0    0.030   0.030     0.286  100.000  100.000
LGA    L    83_A      L    83_A     0.173     0    0.025   0.046     0.389  100.000  100.000
LGA    R    84_A      R    84_A     0.116     0    0.024   0.696     2.930  100.000   78.009
LGA    H    85_A      H    85_A     0.094     0    0.025   0.190     0.609  100.000   98.095
LGA    I    86_A      I    86_A     0.108     0    0.022   0.095     0.464  100.000  100.000
LGA    I    87_A      I    87_A     0.308     0    0.026   0.083     0.505  100.000   98.810
LGA    D    88_A      D    88_A     0.313     0    0.061   0.185     0.946  100.000   96.429
LGA    F    89_A      F    89_A     0.297     0    0.012   0.092     0.447  100.000  100.000
LGA    A    90_A      A    90_A     0.424     0    0.086   0.088     0.943   95.238   96.190
LGA    Y    91_A      Y    91_A     0.430     0    0.016   0.134     0.499  100.000  100.000
LGA    S    92_A      S    92_A     0.495     0    0.050   0.099     0.582   97.619   98.413
LGA    A    93_A      A    93_A     0.508     0    0.017   0.040     0.581   97.619   96.190
LGA    E    94_A      E    94_A     0.347     0    0.045   0.107     0.754   97.619   97.884
LGA    V    95_A      V    95_A     0.173     0    0.041   0.064     0.413  100.000  100.000
LGA    T    96_A      T    96_A     0.326     0    0.015   0.101     0.596   97.619   94.558
LGA    L    97_A      L    97_A     0.576     0    0.054   0.065     0.745   92.857   91.667
LGA    D    98_A      D    98_A     0.477     0    0.023   0.234     1.340   92.857   90.536
LGA    L    99_A      L    99_A     0.701     0    0.020   0.096     0.830   90.476   90.476
LGA    D   100_A      D   100_A     0.785     0    0.090   0.968     3.921   92.857   75.714
LGA    C   101_A      C   101_A     0.577     0    0.072   0.167     1.199   92.857   90.556
LGA    V   102_A      V   102_A     0.578     0    0.028   0.032     0.635   90.476   90.476
LGA    Q   103_A      Q   103_A     0.372     0    0.026   1.249     5.636   97.619   75.132
LGA    D   104_A      D   104_A     0.137     0    0.032   0.340     1.004  100.000   96.488
LGA    V   105_A      V   105_A     0.161     0    0.016   0.040     0.256  100.000  100.000
LGA    L   106_A      L   106_A     0.258     0    0.015   0.078     0.258  100.000  100.000
LGA    G   107_A      G   107_A     0.375     0    0.032   0.032     0.422  100.000  100.000
LGA    A   108_A      A   108_A     0.404     0    0.060   0.066     0.536  100.000   98.095
LGA    A   109_A      A   109_A     0.142     0    0.032   0.031     0.275  100.000  100.000
LGA    V   110_A      V   110_A     0.142     0    0.019   0.028     0.184  100.000  100.000
LGA    F   111_A      F   111_A     0.231     0    0.012   0.312     0.730  100.000   96.537
LGA    L   112_A      L   112_A     0.167     0    0.020   0.054     0.510  100.000   98.810
LGA    Q   113_A      Q   113_A     0.309     0    0.031   0.285     0.676   97.619   96.825
LGA    M   114_A      M   114_A     0.463     0    0.041   0.963     2.151  100.000   89.881
LGA    L   115_A      L   115_A     0.410     0    0.042   1.411     3.949   97.619   78.095
LGA    P   116_A      P   116_A     0.258     0    0.024   0.040     0.459  100.000  100.000
LGA    V   117_A      V   117_A     0.193     0    0.018   0.099     0.387  100.000  100.000
LGA    V   118_A      V   118_A     0.334     0    0.009   0.027     0.523   97.619   98.639
LGA    E   119_A      E   119_A     0.511     0    0.059   0.463     2.048   92.857   89.735
LGA    L   120_A      L   120_A     0.485     0    0.034   0.129     0.576   92.857   95.238
LGA    C   121_A      C   121_A     0.513     0    0.024   0.031     0.635   92.857   95.238
LGA    E   122_A      E   122_A     0.711     0    0.037   0.953     3.797   90.476   74.127
LGA    E   123_A      E   123_A     0.706     0    0.025   0.925     2.691   90.476   76.508
LGA    F   124_A      F   124_A     0.623     0    0.032   0.037     0.700   90.476   90.476
LGA    L   125_A      L   125_A     0.779     0    0.024   0.072     0.887   90.476   90.476
LGA    K   126_A      K   126_A     0.831     0    0.026   1.445     6.308   90.476   70.688
LGA    A   127_A      A   127_A     0.650     0    0.058   0.059     0.747   90.476   90.476
LGA    A   128_A      A   128_A     0.686     0    0.204   0.202     1.273   88.214   88.667
LGA    M   129_A      M   129_A     0.862     0    0.602   1.229     7.670   90.476   63.631

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     0.697          0.708                  1.135           93.503   90.580

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  125    4.0    125    0.70    97.200    98.937    15.690

LGA_LOCAL      RMSD:   0.697  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.697  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   0.697  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.273673 * X  +   0.788584 * Y  +  -0.550671 * Z  +   0.396566
  Y_new =  -0.937413 * X  +  -0.090519 * Y  +   0.336249 * Z  + -30.803572
  Z_new =   0.215315 * X  +   0.608228 * Y  +   0.764001 * Z  + -55.923553 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.854847 -0.217014  0.672364   [DEG: -106.2749  -12.4340   38.5236 ]
ZXZ: -2.118987  0.701304  0.340237   [DEG: -121.4090   40.1818   19.4941 ]
 
# END of job
