
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , 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:   114       3_A - 116_A       0.98     0.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.98     0.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.98     0.98
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     G     3_A     G     3_A    114  114  114     26   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     4_A     E     4_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     5_A     E     5_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     6_A     E     6_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     7_A     R     7_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F     8_A     F     8_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     9_A     R     9_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    10_A     A    10_A    114  114  114     22   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    11_A     Y    11_A    114  114  114     20   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    12_A     Y    12_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    13_A     E    13_A    114  114  114     29   83  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    14_A     R    14_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    15_A     Y    15_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    16_A     F    16_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    17_A     A    17_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    18_A     A    18_A    114  114  114     22   83  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    19_A     L    19_A    114  114  114     29   83  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    20_A     A    20_A    114  114  114     29   83  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    21_A     A    21_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    22_A     R    22_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    23_A     D    23_A    114  114  114     34   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    24_A     Y    24_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    25_A     E    25_A    114  114  114     30   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    26_A     T    26_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    27_A     L    27_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    28_A     L    28_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    29_A     E    29_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    30_A     I    30_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    31_A     L    31_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    32_A     R    32_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    33_A     E    33_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    34_A     F    34_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    35_A     G    35_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    36_A     V    36_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    37_A     A    37_A    114  114  114     20   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     K    38_A     K    38_A    114  114  114     15   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    39_A     L    39_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    40_A     V    40_A    114  114  114     27   79  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    41_A     L    41_A    114  114  114     27   77  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     N    42_A     N    42_A    114  114  114     27   75  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    43_A     G    43_A    114  114  114     25   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    44_A     R    44_A    114  114  114     11   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    45_A     E    45_A    114  114  114     11   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    46_A     F    46_A    114  114  114     28   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    47_A     A    47_A    114  114  114     15   83  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    48_A     S    48_A    114  114  114     15   75  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P    49_A     P    49_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    50_A     E    50_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    51_A     E    51_A    114  114  114     15   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    52_A     A    52_A    114  114  114     15   83  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    53_A     V    53_A    114  114  114     28   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    54_A     Q    54_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     W    55_A     W    55_A    114  114  114     19   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    56_A     A    56_A    114  114  114     19   78  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    57_A     R    57_A    114  114  114     15   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    58_A     D    58_A    114  114  114     29   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    59_A     T    59_A    114  114  114     14   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    60_A     G    60_A    114  114  114     14   84  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    61_A     L    61_A    114  114  114     14   70  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    62_A     R    62_A    114  114  114     11   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    63_A     F    63_A    114  114  114     14   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    64_A     L    64_A    114  114  114     25   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    65_A     R    65_A    114  114  114     25   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    66_A     L    66_A    114  114  114     28   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    67_A     I    67_A    114  114  114     28   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    68_A     R    68_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    69_A     E    69_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    70_A     R    70_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    71_A     Y    71_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    72_A     E    72_A    114  114  114     16   41   96  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    73_A     D    73_A    114  114  114     15   27   47  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    74_A     G    74_A    114  114  114      4   23   83  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    75_A     V    75_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    76_A     Y    76_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    77_A     T    77_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    78_A     V    78_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    79_A     E    79_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    80_A     D    80_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    81_A     I    81_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    82_A     V    82_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    83_A     S    83_A    114  114  114     22   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    84_A     R    84_A    114  114  114     22   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    85_A     D    85_A    114  114  114     22   84  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    86_A     D    86_A    114  114  114     22   80  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    87_A     G    87_A    114  114  114     22   80  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    88_A     R    88_A    114  114  114     22   80  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    89_A     Y    89_A    114  114  114     22   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    90_A     Y    90_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    91_A     R    91_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     H    92_A     H    92_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    93_A     T    93_A    114  114  114     34   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    94_A     S    94_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    95_A     T    95_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    96_A     L    96_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    97_A     R    97_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    98_A     R    98_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    99_A     Q    99_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P   100_A     P   100_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D   101_A     D   101_A    114  114  114     33   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   102_A     G   102_A    114  114  114     28   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   103_A     S   103_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   104_A     Y   104_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V   105_A     V   105_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   106_A     Q   106_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   107_A     Y   107_A    114  114  114     27   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   108_A     S   108_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   109_A     Q   109_A    114  114  114     27   81  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   110_A     L   110_A    114  114  114     30   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E   111_A     E   111_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   112_A     L   112_A    114  114  114     35   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   113_A     L   113_A    114  114  114     25   85  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   114_A     G   114_A    114  114  114     22   75  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   115_A     S   115_A    114  114  114     22   80  110  112  113  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   116_A     G   116_A    114  114  114      3    7   16   21   65  113  114  114  114  114  114  114  114  114  114  114  114  114  114  114 
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     35     85    110    112    113    113    114    114    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  30.70  74.56  96.49  98.25  99.12  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.68   0.82   0.86   0.90   0.90   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98
GDT RMS_ALL_AT   1.04   1.00   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98   0.98

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   107_A      Y   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     0.945     0    0.460   0.460     2.818   82.143   82.143
LGA    E     4_A      E     4_A     0.533     0    0.089   0.210     1.279   95.238   91.587
LGA    E     5_A      E     5_A     0.745     0    0.022   0.124     1.090   90.476   89.471
LGA    E     6_A      E     6_A     0.981     0    0.025   0.881     3.199   90.476   77.407
LGA    R     7_A      R     7_A     0.591     0    0.008   0.354     1.392   92.857   92.294
LGA    F     8_A      F     8_A     0.592     0    0.022   0.143     0.878   90.476   93.074
LGA    R     9_A      R     9_A     0.714     0    0.028   0.770     3.403   90.476   83.723
LGA    A    10_A      A    10_A     0.969     0    0.037   0.039     1.174   85.952   85.048
LGA    Y    11_A      Y    11_A     1.056     0    0.086   1.359     9.569   88.214   49.722
LGA    Y    12_A      Y    12_A     1.096     0    0.015   1.352     7.997   81.429   53.452
LGA    E    13_A      E    13_A     1.216     0    0.014   0.837     2.164   81.429   75.820
LGA    R    14_A      R    14_A     0.912     0    0.022   0.072     1.056   88.214   89.654
LGA    Y    15_A      Y    15_A     0.846     0    0.019   0.166     2.310   88.214   80.198
LGA    F    16_A      F    16_A     0.814     0    0.022   1.300     7.846   88.214   55.022
LGA    A    17_A      A    17_A     1.081     0    0.021   0.021     1.268   83.690   83.238
LGA    A    18_A      A    18_A     1.279     0    0.013   0.013     1.365   81.429   81.429
LGA    L    19_A      L    19_A     1.258     0    0.038   1.363     3.696   81.429   71.548
LGA    A    20_A      A    20_A     1.405     0    0.050   0.053     1.634   79.286   79.714
LGA    A    21_A      A    21_A     1.018     0    0.032   0.036     1.206   85.952   86.857
LGA    R    22_A      R    22_A     1.059     0    0.014   0.243     1.956   85.952   80.736
LGA    D    23_A      D    23_A     0.659     0    0.050   0.170     0.788   90.476   91.667
LGA    Y    24_A      Y    24_A     1.001     0    0.031   0.126     1.622   83.690   82.976
LGA    E    25_A      E    25_A     0.807     0    0.053   0.929     3.580   90.476   78.677
LGA    T    26_A      T    26_A     0.430     0    0.001   0.068     0.608   97.619   98.639
LGA    L    27_A      L    27_A     0.598     0    0.008   1.379     3.595   95.238   81.548
LGA    L    28_A      L    28_A     0.347     0    0.028   0.084     0.418  100.000  100.000
LGA    E    29_A      E    29_A     0.250     0    0.027   0.364     1.541  100.000   95.926
LGA    I    30_A      I    30_A     0.385     0    0.018   0.042     0.670  100.000   97.619
LGA    L    31_A      L    31_A     0.431     0    0.008   0.064     0.637  100.000   96.429
LGA    R    32_A      R    32_A     0.404     0    0.012   1.092     6.642  100.000   74.156
LGA    E    33_A      E    33_A     0.508     0    0.007   0.536     1.969   95.238   90.635
LGA    F    34_A      F    34_A     0.434     0    0.035   0.170     0.952  100.000   95.671
LGA    G    35_A      G    35_A     0.662     0    0.084   0.084     0.662   90.476   90.476
LGA    V    36_A      V    36_A     0.549     0    0.047   0.128     0.700   92.857   93.197
LGA    A    37_A      A    37_A     0.838     0    0.042   0.047     0.998   90.476   90.476
LGA    K    38_A      K    38_A     0.905     0    0.045   0.606     1.113   90.476   88.466
LGA    L    39_A      L    39_A     1.073     0    0.032   1.241     5.664   85.952   66.667
LGA    V    40_A      V    40_A     1.219     0    0.027   0.026     1.435   81.429   81.429
LGA    L    41_A      L    41_A     1.212     0    0.036   0.745     2.827   81.429   78.393
LGA    N    42_A      N    42_A     1.268     0    0.023   0.023     1.805   81.429   78.214
LGA    G    43_A      G    43_A     0.835     0    0.033   0.033     0.996   90.476   90.476
LGA    R    44_A      R    44_A     0.910     0    0.052   1.317     7.596   90.476   60.173
LGA    E    45_A      E    45_A     1.027     0    0.017   0.617     4.070   85.952   67.354
LGA    F    46_A      F    46_A     0.931     0    0.135   0.151     1.699   85.952   81.515
LGA    A    47_A      A    47_A     1.280     0    0.033   0.036     1.739   81.548   81.524
LGA    S    48_A      S    48_A     1.183     0    0.069   0.124     1.506   85.952   81.587
LGA    P    49_A      P    49_A     0.302     0    0.049   0.071     0.741   97.619   95.918
LGA    E    50_A      E    50_A     0.587     0    0.006   1.232     3.715   95.238   81.429
LGA    E    51_A      E    51_A     1.027     0    0.014   0.968     2.749   85.952   77.937
LGA    A    52_A      A    52_A     1.140     0    0.012   0.018     1.310   85.952   85.048
LGA    V    53_A      V    53_A     0.473     0    0.041   0.041     0.622   95.238   95.918
LGA    Q    54_A      Q    54_A     0.315     0    0.006   0.107     1.290  100.000   93.704
LGA    W    55_A      W    55_A     1.105     0    0.017   0.053     2.449   83.690   73.673
LGA    A    56_A      A    56_A     1.292     0    0.019   0.022     1.452   81.429   81.429
LGA    R    57_A      R    57_A     0.816     0    0.014   1.108     5.484   90.476   72.294
LGA    D    58_A      D    58_A     0.547     0    0.015   0.061     0.674   90.476   95.238
LGA    T    59_A      T    59_A     0.866     0    0.029   0.050     1.172   85.952   84.014
LGA    G    60_A      G    60_A     1.153     0    0.049   0.049     1.153   81.429   81.429
LGA    L    61_A      L    61_A     1.185     0    0.016   1.327     4.466   81.429   67.857
LGA    R    62_A      R    62_A     0.862     0    0.066   0.923     4.517   92.857   67.100
LGA    F    63_A      F    63_A     0.843     0    0.015   0.149     1.051   88.214   89.697
LGA    L    64_A      L    64_A     0.798     0    0.066   0.331     1.317   88.214   88.214
LGA    R    65_A      R    65_A     0.893     0    0.072   0.721     5.497   92.857   72.035
LGA    L    66_A      L    66_A     0.400     0    0.008   0.150     0.962   97.619   95.238
LGA    I    67_A      I    67_A     0.492     0    0.031   0.089     0.919   95.238   92.857
LGA    R    68_A      R    68_A     0.946     0    0.015   1.086     5.926   90.476   68.485
LGA    E    69_A      E    69_A     0.947     0    0.033   0.665     2.929   88.214   74.656
LGA    R    70_A      R    70_A     0.868     0    0.016   0.936     5.402   90.476   66.710
LGA    Y    71_A      Y    71_A     1.094     0    0.070   0.111     1.523   85.952   83.730
LGA    E    72_A      E    72_A     1.951     0    0.152   0.696     3.548   61.548   60.000
LGA    D    73_A      D    73_A     2.992     0    0.309   1.225     8.266   67.024   43.571
LGA    G    74_A      G    74_A     2.006     0    0.026   0.026     2.300   70.952   70.952
LGA    V    75_A      V    75_A     0.730     0    0.036   0.068     1.279   88.214   90.544
LGA    Y    76_A      Y    76_A     0.515     0    0.028   0.179     0.849   95.238   92.063
LGA    T    77_A      T    77_A     0.231     0    0.015   0.033     0.707  100.000   95.918
LGA    V    78_A      V    78_A     0.167     0    0.038   0.061     0.450  100.000  100.000
LGA    E    79_A      E    79_A     0.124     0    0.034   0.514     1.853  100.000   94.868
LGA    D    80_A      D    80_A     0.051     0    0.018   0.393     1.004  100.000   96.488
LGA    I    81_A      I    81_A     0.175     0    0.030   0.631     2.559  100.000   94.643
LGA    V    82_A      V    82_A     0.128     0    0.036   0.059     0.276  100.000  100.000
LGA    S    83_A      S    83_A     0.697     0    0.049   0.105     0.878   90.476   90.476
LGA    R    84_A      R    84_A     0.729     0    0.042   0.616     2.561   90.476   87.489
LGA    D    85_A      D    85_A     0.902     0    0.080   0.217     1.356   90.476   87.083
LGA    D    86_A      D    86_A     1.092     0    0.045   0.054     1.493   81.429   81.429
LGA    G    87_A      G    87_A     1.068     0    0.052   0.052     1.249   81.429   81.429
LGA    R    88_A      R    88_A     1.106     0    0.015   1.007     4.352   85.952   74.545
LGA    Y    89_A      Y    89_A     0.782     0    0.018   0.239     1.939   90.476   83.095
LGA    Y    90_A      Y    90_A     0.294     0    0.029   0.108     0.985  100.000   94.444
LGA    R    91_A      R    91_A     0.252     0    0.028   0.583     2.728   97.619   88.485
LGA    H    92_A      H    92_A     0.689     0    0.021   0.040     0.920   90.476   90.476
LGA    T    93_A      T    93_A     0.659     0    0.032   0.036     1.003   88.214   89.184
LGA    S    94_A      S    94_A     0.781     0    0.049   0.590     1.976   90.476   87.540
LGA    T    95_A      T    95_A     0.792     0    0.080   0.093     1.309   88.214   89.184
LGA    L    96_A      L    96_A     0.785     0    0.044   0.226     1.222   90.476   88.214
LGA    R    97_A      R    97_A     0.830     0    0.060   1.299     6.984   90.476   63.074
LGA    R    98_A      R    98_A     0.536     0    0.028   1.068     5.742   92.857   75.584
LGA    Q    99_A      Q    99_A     0.360     0    0.015   1.135     4.655  100.000   83.704
LGA    P   100_A      P   100_A     0.254     0    0.050   0.088     0.418  100.000  100.000
LGA    D   101_A      D   101_A     0.127     0    0.036   0.086     0.614  100.000   98.810
LGA    G   102_A      G   102_A     0.668     0    0.031   0.031     0.846   92.857   92.857
LGA    S   103_A      S   103_A     0.655     0    0.011   0.031     0.696   92.857   92.063
LGA    Y   104_A      Y   104_A     0.762     0    0.004   0.076     0.926   90.476   90.476
LGA    V   105_A      V   105_A     0.824     0    0.027   0.064     1.089   88.214   89.184
LGA    Q   106_A      Q   106_A     0.860     0    0.014   0.115     1.442   88.214   85.450
LGA    Y   107_A      Y   107_A     0.861     0    0.045   0.086     1.017   88.214   89.722
LGA    S   108_A      S   108_A     0.680     0    0.059   0.143     0.871   90.476   90.476
LGA    Q   109_A      Q   109_A     1.089     0    0.042   0.193     1.932   88.214   81.587
LGA    L   110_A      L   110_A     0.715     0    0.031   0.131     1.360   92.857   90.536
LGA    E   111_A      E   111_A     0.499     0    0.030   0.661     2.046   97.619   84.921
LGA    L   112_A      L   112_A     0.451     0    0.026   0.077     0.639   97.619   94.048
LGA    L   113_A      L   113_A     0.859     0    0.127   0.150     1.309   85.952   87.083
LGA    G   114_A      G   114_A     1.296     0    0.012   0.012     1.296   81.429   81.429
LGA    S   115_A      S   115_A     1.078     0    0.035   0.054     2.809   71.190   69.127
LGA    G   116_A      G   116_A     4.021     0    0.037   0.037     4.605   40.714   40.714

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):     0.977          0.986                  1.757           89.242   83.453

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    114    0.98    93.202    97.495    10.582

LGA_LOCAL      RMSD:   0.977  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.977  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   0.977  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.875397 * X  +  -0.338533 * Y  +   0.345074 * Z  +  12.868326
  Y_new =   0.314793 * X  +   0.142524 * Y  +   0.938399 * Z  +  -7.051305
  Z_new =  -0.366860 * X  +   0.930098 * Y  +  -0.018197 * Z  +   8.701805 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.796391  0.375632  1.590359   [DEG:  160.2214   21.5221   91.1208 ]
ZXZ:  2.789214  1.588995 -0.375697   [DEG:  159.8102   91.0427  -21.5259 ]
 
# END of job
