
#######################################################
#                                                     #
#                        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   73  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   72  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     46  109  121  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     46  106  121  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  110  121  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     29  110  121  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     62  110  121  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     58  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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     67  110  121  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  110  121  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  110  121  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  110  121  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     60  110  121  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     60  110  121  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     60  110  121  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     58  110  121  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  110  121  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  104  121  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     58  110  121  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     59  110  121  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     67  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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     72  110  121  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  121  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   91  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  110  121  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  110  121  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  110  121  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     69  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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     58  110  121  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     60  110  121  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  110  121  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  110  121  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  110  121  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     73  110  121  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  110  121  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  110  121  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     34  110  121  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     45  110  121  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   99  121  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     20   81  121  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     48   99  121  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     48  110  121  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     60  110  121  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     57  110  121  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     60  110  121  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     70  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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      8  110  121  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   78  121  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  108  121  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     58  110  121  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     60  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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     73  110  121  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     67  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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  110  121  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    110    121    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  58.40  88.00  96.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.51   0.62   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   0.78   0.73   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     1.740     0    0.053   1.025     2.913   70.833   66.905
LGA    K     6_A      K     6_A     2.200     0    0.122   0.637     3.321   70.833   64.127
LGA    C     7_A      C     7_A     1.201     0    0.039   0.672     2.280   81.429   80.159
LGA    T     8_A      T     8_A     1.239     0    0.026   0.067     1.778   81.429   78.980
LGA    F     9_A      F     9_A     0.732     0    0.043   0.145     0.914   90.476   90.476
LGA    S    10_A      S    10_A     1.050     0    0.048   0.620     2.016   88.214   83.175
LGA    A    11_A      A    11_A     0.494     0    0.034   0.046     0.685   97.619   98.095
LGA    P    12_A      P    12_A     0.768     0    0.007   0.274     1.091   90.476   89.184
LGA    S    13_A      S    13_A     0.636     0    0.045   0.174     0.681   90.476   92.063
LGA    H    14_A      H    14_A     0.414     0    0.017   0.110     0.577   97.619   99.048
LGA    S    15_A      S    15_A     0.629     0    0.061   0.171     0.935   90.476   90.476
LGA    T    16_A      T    16_A     0.869     0    0.032   0.132     1.079   90.476   86.599
LGA    S    17_A      S    17_A     0.673     0    0.036   0.039     0.744   90.476   90.476
LGA    L    18_A      L    18_A     0.410     0    0.018   0.223     0.943   95.238   96.429
LGA    L    19_A      L    19_A     0.574     0    0.018   0.050     0.672   90.476   90.476
LGA    Q    20_A      Q    20_A     0.768     0    0.034   0.729     2.913   90.476   81.852
LGA    G    21_A      G    21_A     0.698     0    0.044   0.044     0.712   90.476   90.476
LGA    L    22_A      L    22_A     0.578     0    0.013   0.065     0.667   90.476   92.857
LGA    A    23_A      A    23_A     0.675     0    0.020   0.028     0.759   90.476   90.476
LGA    T    24_A      T    24_A     0.819     0    0.080   1.132     3.330   90.476   82.177
LGA    L    25_A      L    25_A     0.800     0    0.018   0.138     1.142   90.476   89.345
LGA    R    26_A      R    26_A     0.702     0    0.026   0.259     1.060   90.476   92.251
LGA    A    27_A      A    27_A     0.916     0    0.019   0.024     0.989   90.476   90.476
LGA    Q    28_A      Q    28_A     1.079     0    0.013   1.009     3.267   81.429   78.942
LGA    G    29_A      G    29_A     1.143     0    0.076   0.076     1.258   81.429   81.429
LGA    Q    30_A      Q    30_A     0.827     0    0.023   0.795     3.043   90.476   81.164
LGA    L    31_A      L    31_A     0.662     0    0.017   0.109     1.010   90.476   89.345
LGA    L    32_A      L    32_A     0.503     0    0.056   0.143     0.599   92.857   91.667
LGA    D    33_A      D    33_A     0.537     0    0.026   0.079     0.537   92.857   96.429
LGA    V    34_A      V    34_A     0.197     0    0.030   0.079     0.392  100.000  100.000
LGA    V    35_A      V    35_A     0.173     0    0.027   0.049     0.406  100.000  100.000
LGA    L    36_A      L    36_A     0.339     0    0.028   0.092     0.438  100.000  100.000
LGA    T    37_A      T    37_A     0.267     0    0.040   0.123     0.404  100.000  100.000
LGA    I    38_A      I    38_A     0.451     0    0.035   0.055     0.730   95.238   97.619
LGA    N    39_A      N    39_A     1.344     0    0.042   0.189     1.641   81.548   81.488
LGA    R    40_A      R    40_A     1.723     0    0.049   1.336     5.527   77.143   61.385
LGA    E    41_A      E    41_A     0.818     0    0.079   0.655     1.704   90.595   86.561
LGA    A    42_A      A    42_A     0.190     0    0.032   0.030     0.674   97.619   98.095
LGA    F    43_A      F    43_A     0.515     0    0.009   0.084     1.181   97.619   91.429
LGA    P    44_A      P    44_A     0.523     0    0.027   0.323     1.733   90.476   87.959
LGA    A    45_A      A    45_A     0.325     0    0.013   0.027     0.446  100.000  100.000
LGA    H    46_A      H    46_A     0.290     0    0.017   0.149     0.549  100.000   98.095
LGA    K    47_A      K    47_A     0.261     0    0.031   0.143     0.499  100.000  100.000
LGA    V    48_A      V    48_A     0.207     0    0.068   0.086     0.586  100.000   97.279
LGA    V    49_A      V    49_A     0.377     0    0.013   0.052     0.493  100.000  100.000
LGA    L    50_A      L    50_A     0.426     0    0.014   0.070     0.875   97.619   95.238
LGA    A    51_A      A    51_A     0.340     0    0.024   0.026     0.353  100.000  100.000
LGA    A    52_A      A    52_A     0.472     0    0.108   0.123     0.816   95.238   94.286
LGA    C    53_A      C    53_A     0.869     0    0.130   0.142     1.503   92.857   87.619
LGA    S    54_A      S    54_A     0.653     0    0.030   0.078     0.971   95.238   93.651
LGA    D    55_A      D    55_A     0.614     0    0.068   0.338     1.732   95.238   88.393
LGA    Y    56_A      Y    56_A     0.434     0    0.012   0.048     0.760  100.000   93.651
LGA    F    57_A      F    57_A     0.365     0    0.020   0.039     0.822  100.000   94.805
LGA    R    58_A      R    58_A     0.286     0    0.045   1.004     6.432  100.000   74.242
LGA    A    59_A      A    59_A     0.434     0    0.028   0.032     0.613   95.238   96.190
LGA    M    60_A      M    60_A     0.525     0    0.025   0.089     0.784   92.857   94.048
LGA    F    61_A      F    61_A     0.734     0    0.035   0.051     1.015   88.214   89.654
LGA    T    62_A      T    62_A     0.933     0    0.047   0.069     1.136   85.952   87.891
LGA    G    63_A      G    63_A     1.413     0    0.672   0.672     3.603   69.762   69.762
LGA    G    64_A      G    64_A     1.600     0    0.018   0.018     1.738   75.000   75.000
LGA    M    65_A      M    65_A     1.225     0    0.025   0.853     2.637   81.429   78.571
LGA    R    66_A      R    66_A     1.080     0    0.024   1.052     5.047   85.952   70.000
LGA    E    67_A      E    67_A     0.654     0    0.029   0.262     2.068   90.476   86.667
LGA    A    68_A      A    68_A     0.860     0    0.082   0.088     0.955   90.476   90.476
LGA    S    69_A      S    69_A     0.604     0    0.015   0.038     0.716   95.238   93.651
LGA    Q    70_A      Q    70_A     0.424     0    0.045   0.128     0.744   97.619   94.709
LGA    D    71_A      D    71_A     0.414     0    0.050   0.171     0.826  100.000   95.238
LGA    V    72_A      V    72_A     0.260     0    0.022   0.025     0.358  100.000  100.000
LGA    I    73_A      I    73_A     0.243     0    0.016   0.044     0.249  100.000  100.000
LGA    E    74_A      E    74_A     0.328     0    0.056   0.241     0.655   97.619   96.825
LGA    L    75_A      L    75_A     0.324     0    0.191   0.235     0.891   97.619   98.810
LGA    K    76_A      K    76_A     0.981     0    0.057   0.594     1.378   85.952   86.455
LGA    G    77_A      G    77_A     1.496     0    0.071   0.071     1.775   79.286   79.286
LGA    V    78_A      V    78_A     1.087     0    0.035   0.158     1.580   88.333   82.925
LGA    S    79_A      S    79_A     0.895     0    0.095   0.513     1.706   90.476   89.127
LGA    A    80_A      A    80_A     0.648     0    0.036   0.036     0.760   90.476   90.476
LGA    R    81_A      R    81_A     0.355     0    0.021   1.109     4.068  100.000   86.061
LGA    G    82_A      G    82_A     0.180     0    0.006   0.006     0.248  100.000  100.000
LGA    L    83_A      L    83_A     0.187     0    0.026   0.046     0.440  100.000  100.000
LGA    R    84_A      R    84_A     0.108     0    0.024   0.702     3.010  100.000   76.667
LGA    H    85_A      H    85_A     0.091     0    0.030   0.183     0.634  100.000   98.095
LGA    I    86_A      I    86_A     0.119     0    0.025   0.107     0.529  100.000   98.810
LGA    I    87_A      I    87_A     0.306     0    0.027   0.065     0.494  100.000  100.000
LGA    D    88_A      D    88_A     0.307     0    0.066   0.192     0.900  100.000   97.619
LGA    F    89_A      F    89_A     0.302     0    0.012   0.103     0.484  100.000  100.000
LGA    A    90_A      A    90_A     0.415     0    0.087   0.088     0.939   95.238   96.190
LGA    Y    91_A      Y    91_A     0.417     0    0.017   0.118     0.490  100.000  100.000
LGA    S    92_A      S    92_A     0.488     0    0.046   0.096     0.575   97.619   98.413
LGA    A    93_A      A    93_A     0.494     0    0.018   0.040     0.568  100.000   98.095
LGA    E    94_A      E    94_A     0.345     0    0.041   0.105     0.763   97.619   97.884
LGA    V    95_A      V    95_A     0.152     0    0.033   0.053     0.375  100.000  100.000
LGA    T    96_A      T    96_A     0.327     0    0.018   0.108     0.607   97.619   94.558
LGA    L    97_A      L    97_A     0.567     0    0.052   0.064     0.709   92.857   91.667
LGA    D    98_A      D    98_A     0.481     0    0.023   0.215     1.286   92.857   90.536
LGA    L    99_A      L    99_A     0.688     0    0.017   0.082     0.815   90.476   90.476
LGA    D   100_A      D   100_A     0.788     0    0.089   0.971     3.924   92.857   75.714
LGA    C   101_A      C   101_A     0.564     0    0.078   0.158     1.207   95.238   92.143
LGA    V   102_A      V   102_A     0.572     0    0.029   0.033     0.647   92.857   91.837
LGA    Q   103_A      Q   103_A     0.370     0    0.026   1.255     5.670   97.619   75.132
LGA    D   104_A      D   104_A     0.134     0    0.033   0.335     0.977  100.000   97.619
LGA    V   105_A      V   105_A     0.152     0    0.013   0.042     0.246  100.000  100.000
LGA    L   106_A      L   106_A     0.256     0    0.011   0.078     0.256  100.000  100.000
LGA    G   107_A      G   107_A     0.378     0    0.021   0.021     0.466  100.000  100.000
LGA    A   108_A      A   108_A     0.409     0    0.060   0.067     0.538  100.000   98.095
LGA    A   109_A      A   109_A     0.149     0    0.034   0.032     0.282  100.000  100.000
LGA    V   110_A      V   110_A     0.166     0    0.018   0.033     0.194  100.000  100.000
LGA    F   111_A      F   111_A     0.233     0    0.012   0.303     0.683  100.000   96.537
LGA    L   112_A      L   112_A     0.167     0    0.019   0.057     0.510  100.000   98.810
LGA    Q   113_A      Q   113_A     0.298     0    0.031   0.277     0.663   97.619   96.825
LGA    M   114_A      M   114_A     0.459     0    0.045   0.965     2.155  100.000   89.881
LGA    L   115_A      L   115_A     0.408     0    0.044   1.415     4.002   97.619   77.321
LGA    P   116_A      P   116_A     0.271     0    0.024   0.043     0.481  100.000  100.000
LGA    V   117_A      V   117_A     0.214     0    0.018   0.117     0.519  100.000   98.639
LGA    V   118_A      V   118_A     0.333     0    0.007   0.023     0.509   97.619   98.639
LGA    E   119_A      E   119_A     0.516     0    0.062   0.447     1.976   92.857   90.635
LGA    L   120_A      L   120_A     0.470     0    0.033   0.127     0.558   95.238   96.429
LGA    C   121_A      C   121_A     0.512     0    0.023   0.035     0.646   92.857   95.238
LGA    E   122_A      E   122_A     0.721     0    0.039   0.958     3.801   90.476   74.127
LGA    E   123_A      E   123_A     0.718     0    0.026   0.941     2.755   90.476   76.508
LGA    F   124_A      F   124_A     0.641     0    0.032   0.052     0.717   90.476   90.476
LGA    L   125_A      L   125_A     0.796     0    0.025   0.078     0.862   90.476   90.476
LGA    K   126_A      K   126_A     0.828     0    0.027   1.443     6.284   90.476   70.688
LGA    A   127_A      A   127_A     0.651     0    0.061   0.060     0.734   90.476   90.476
LGA    A   128_A      A   128_A     0.693     0    0.204   0.202     1.281   88.214   88.667
LGA    M   129_A      M   129_A     0.868     0    0.600   1.223     7.651   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):     0.701          0.711                  1.136           93.540   90.582

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  125    4.0    125    0.70    97.000    98.814    15.609

LGA_LOCAL      RMSD:   0.701  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.701  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   0.701  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.273594 * X  +   0.788613 * Y  +  -0.550668 * Z  +   0.398361
  Y_new =  -0.937432 * X  +  -0.090455 * Y  +   0.336214 * Z  + -30.802298
  Z_new =   0.215332 * X  +   0.608200 * Y  +   0.764019 * Z  + -55.922760 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.854764 -0.217032  0.672330   [DEG: -106.2701  -12.4350   38.5216 ]
ZXZ: -2.118942  0.701277  0.340277   [DEG: -121.4064   40.1802   19.4964 ]
 
# END of job
