
#######################################################
#                                                     #
#                        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       0.93     0.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.93     0.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.93     0.93
  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     33  101  110  111  112  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     33  101  110  111  112  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     33  101  110  111  112  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     33  101  110  111  112  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     34  101  110  111  112  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     33  101  110  111  112  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  101  110  111  112  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     29  101  110  111  112  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     24  101  110  111  112  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  100  110  111  112  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   95  110  111  112  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  101  110  111  112  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  101  110  111  112  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     33  101  110  111  112  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     23  101  110  111  112  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     23   98  110  111  112  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   98  110  111  112  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   90  110  111  112  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  101  110  111  112  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  101  110  111  112  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     42  101  110  111  112  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  101  110  111  112  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     29  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     53  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     27  101  110  111  112  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     54  101  110  111  112  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     42  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     33  101  110  111  112  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     10  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     33  101  110  111  112  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     24  101  110  111  112  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     43  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     29  101  110  111  112  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     18  101  110  111  112  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     12  101  110  111  112  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     12  101  110  111  112  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     29  101  110  111  112  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     29  101  110  111  112  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     55  101  110  111  112  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     47  101  110  111  112  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  101  110  111  112  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     25  101  110  111  112  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  101  110  111  112  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     19  101  110  111  112  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      4   32   81  111  112  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      4   21   44   65  112  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   15   68  108  112  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     20  101  110  111  112  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     25  101  110  111  112  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     53  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     29  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     47  101  110  111  112  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     36  101  110  111  112  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     29  101  110  111  112  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     19  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     34  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     55  101  110  111  112  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     27  101  110  111  112  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     17   63  110  111  112  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     29   95  110  111  112  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    3    3   80  109  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     55    101    110    111    112    113    114    114    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  48.25  88.60  96.49  97.37  98.25  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    0.34   0.65   0.72   0.75   0.79   0.86   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93
GDT RMS_ALL_AT   1.04   0.94   0.94   0.94   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93   0.93

# 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:  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:  E    69_A      E    69_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
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     0.814     0    0.465   0.465     2.825   84.524   84.524
LGA    E     4_A      E     4_A     0.537     0    0.100   0.199     1.196   95.238   91.587
LGA    E     5_A      E     5_A     0.766     0    0.033   0.139     1.108   90.476   89.471
LGA    E     6_A      E     6_A     0.892     0    0.018   0.886     3.255   90.476   78.413
LGA    R     7_A      R     7_A     0.445     0    0.012   0.832     3.891   97.619   83.723
LGA    F     8_A      F     8_A     0.565     0    0.016   0.239     1.447   92.857   89.740
LGA    R     9_A      R     9_A     0.804     0    0.026   0.972     4.094   90.476   72.554
LGA    A    10_A      A    10_A     0.896     0    0.040   0.042     1.079   88.214   88.667
LGA    Y    11_A      Y    11_A     0.959     0    0.085   1.336     9.435   90.476   50.794
LGA    Y    12_A      Y    12_A     1.120     0    0.014   1.348     8.153   81.429   53.254
LGA    E    13_A      E    13_A     1.290     0    0.014   0.859     2.228   81.429   76.720
LGA    R    14_A      R    14_A     0.918     0    0.008   0.081     1.079   88.214   89.654
LGA    Y    15_A      Y    15_A     0.834     0    0.021   0.164     2.252   88.214   80.913
LGA    F    16_A      F    16_A     0.780     0    0.043   1.329     7.768   88.214   55.022
LGA    A    17_A      A    17_A     1.025     0    0.027   0.027     1.225   83.690   83.238
LGA    A    18_A      A    18_A     1.199     0    0.024   0.024     1.224   81.429   81.429
LGA    L    19_A      L    19_A     1.258     0    0.034   1.361     3.587   81.429   71.548
LGA    A    20_A      A    20_A     1.473     0    0.060   0.064     1.741   79.286   79.714
LGA    A    21_A      A    21_A     1.088     0    0.024   0.028     1.279   85.952   86.857
LGA    R    22_A      R    22_A     1.059     0    0.026   1.014     3.062   85.952   78.658
LGA    D    23_A      D    23_A     0.604     0    0.034   0.152     0.912   90.476   91.667
LGA    Y    24_A      Y    24_A     0.913     0    0.035   0.114     1.602   88.214   83.770
LGA    E    25_A      E    25_A     0.770     0    0.056   1.232     5.811   90.476   68.095
LGA    T    26_A      T    26_A     0.585     0    0.002   0.065     0.697   90.476   90.476
LGA    L    27_A      L    27_A     0.711     0    0.013   1.380     3.630   90.476   79.167
LGA    L    28_A      L    28_A     0.457     0    0.023   0.095     0.543   97.619   98.810
LGA    E    29_A      E    29_A     0.438     0    0.036   0.348     1.746  100.000   93.810
LGA    I    30_A      I    30_A     0.637     0    0.018   0.035     0.790   90.476   90.476
LGA    L    31_A      L    31_A     0.498     0    0.004   0.049     0.634   97.619   95.238
LGA    R    32_A      R    32_A     0.451     0    0.017   1.101     6.542   95.238   72.424
LGA    E    33_A      E    33_A     0.645     0    0.008   0.563     2.682   90.476   75.661
LGA    F    34_A      F    34_A     0.544     0    0.019   0.114     0.777   90.476   93.074
LGA    G    35_A      G    35_A     0.704     0    0.076   0.076     0.704   90.476   90.476
LGA    V    36_A      V    36_A     0.598     0    0.032   0.139     0.905   90.476   90.476
LGA    A    37_A      A    37_A     0.563     0    0.079   0.087     0.670   90.476   92.381
LGA    K    38_A      K    38_A     0.760     0    0.069   0.582     1.787   90.476   84.550
LGA    L    39_A      L    39_A     0.752     0    0.024   1.258     5.193   90.476   71.488
LGA    V    40_A      V    40_A     0.891     0    0.027   0.031     1.053   88.214   89.184
LGA    L    41_A      L    41_A     0.750     0    0.029   0.747     2.083   90.476   86.250
LGA    N    42_A      N    42_A     0.650     0    0.023   0.428     1.757   90.476   89.464
LGA    G    43_A      G    43_A     0.516     0    0.037   0.037     0.636   90.476   90.476
LGA    R    44_A      R    44_A     0.663     0    0.050   1.313     6.889   90.476   64.329
LGA    E    45_A      E    45_A     0.805     0    0.015   0.601     3.643   90.476   71.534
LGA    F    46_A      F    46_A     0.659     0    0.036   0.142     1.268   90.476   88.831
LGA    A    47_A      A    47_A     0.621     0    0.043   0.039     0.848   90.476   90.476
LGA    S    48_A      S    48_A     0.564     0    0.066   0.123     0.951   97.619   95.238
LGA    P    49_A      P    49_A     0.194     0    0.054   0.077     0.386  100.000  100.000
LGA    E    50_A      E    50_A     0.666     0    0.008   1.226     3.753   92.857   81.323
LGA    E    51_A      E    51_A     0.800     0    0.031   1.198     4.801   90.476   75.503
LGA    A    52_A      A    52_A     0.855     0    0.013   0.019     0.953   90.476   90.476
LGA    V    53_A      V    53_A     0.259     0    0.029   0.042     0.405  100.000  100.000
LGA    Q    54_A      Q    54_A     0.321     0    0.005   0.110     1.015  100.000   93.704
LGA    W    55_A      W    55_A     0.885     0    0.018   0.055     2.021   90.476   77.959
LGA    A    56_A      A    56_A     0.912     0    0.017   0.020     1.025   90.476   88.667
LGA    R    57_A      R    57_A     0.486     0    0.011   1.223     6.256   97.619   73.983
LGA    D    58_A      D    58_A     0.313     0    0.020   0.063     0.357  100.000  100.000
LGA    T    59_A      T    59_A     0.447     0    0.032   0.031     0.949   95.238   93.197
LGA    G    60_A      G    60_A     0.662     0    0.015   0.015     0.742   90.476   90.476
LGA    L    61_A      L    61_A     0.856     0    0.016   0.107     1.904   88.214   83.750
LGA    R    62_A      R    62_A     0.958     0    0.065   0.956     4.719   92.857   65.195
LGA    F    63_A      F    63_A     0.962     0    0.014   0.116     1.184   85.952   88.874
LGA    L    64_A      L    64_A     0.840     0    0.078   0.309     1.358   88.214   89.345
LGA    R    65_A      R    65_A     0.935     0    0.088   0.985     5.849   92.857   70.216
LGA    L    66_A      L    66_A     0.270     0    0.010   0.109     0.831  100.000   96.429
LGA    I    67_A      I    67_A     0.382     0    0.037   0.096     0.762   95.238   95.238
LGA    R    68_A      R    68_A     0.677     0    0.012   1.110     5.561   92.857   72.771
LGA    E    69_A      E    69_A     0.765     0    0.030   0.436     1.838   90.476   86.508
LGA    R    70_A      R    70_A     0.618     0    0.013   0.952     5.535   90.476   67.013
LGA    Y    71_A      Y    71_A     1.017     0    0.074   0.133     1.573   85.952   83.770
LGA    E    72_A      E    72_A     2.277     0    0.142   0.682     3.828   57.738   55.132
LGA    D    73_A      D    73_A     3.641     0    0.319   1.241     9.099   57.619   35.417
LGA    G    74_A      G    74_A     2.655     0    0.025   0.025     2.989   62.976   62.976
LGA    V    75_A      V    75_A     1.014     0    0.045   0.073     1.701   81.548   86.735
LGA    Y    76_A      Y    76_A     0.687     0    0.029   0.264     0.965   95.238   92.063
LGA    T    77_A      T    77_A     0.122     0    0.019   0.030     0.637  100.000   97.279
LGA    V    78_A      V    78_A     0.153     0    0.018   1.081     2.422  100.000   89.932
LGA    E    79_A      E    79_A     0.090     0    0.036   0.177     0.823  100.000   98.942
LGA    D    80_A      D    80_A     0.044     0    0.017   0.579     1.441  100.000   95.357
LGA    I    81_A      I    81_A     0.183     0    0.031   0.112     0.472  100.000  100.000
LGA    V    82_A      V    82_A     0.170     0    0.025   0.049     0.227  100.000  100.000
LGA    S    83_A      S    83_A     0.407     0    0.035   0.102     0.793  100.000   96.825
LGA    R    84_A      R    84_A     0.394     0    0.029   0.613     3.299   97.619   86.190
LGA    D    85_A      D    85_A     0.477     0    0.090   0.193     1.166  100.000   95.298
LGA    D    86_A      D    86_A     0.655     0    0.040   0.050     1.444   90.476   87.083
LGA    G    87_A      G    87_A     0.331     0    0.049   0.049     0.669   95.238   95.238
LGA    R    88_A      R    88_A     0.813     0    0.029   1.017     3.949   90.476   78.398
LGA    Y    89_A      Y    89_A     0.659     0    0.013   0.189     1.414   90.476   87.460
LGA    Y    90_A      Y    90_A     0.339     0    0.035   0.096     0.608  100.000   98.413
LGA    R    91_A      R    91_A     0.231     0    0.028   0.576     2.603  100.000   90.996
LGA    H    92_A      H    92_A     0.427     0    0.012   0.102     0.670  100.000   98.095
LGA    T    93_A      T    93_A     0.442     0    0.036   0.040     0.732   95.238   97.279
LGA    S    94_A      S    94_A     0.571     0    0.045   0.598     2.021   92.857   87.778
LGA    T    95_A      T    95_A     0.770     0    0.083   0.097     1.234   88.214   89.184
LGA    L    96_A      L    96_A     0.755     0    0.032   0.186     1.185   92.857   89.405
LGA    R    97_A      R    97_A     0.713     0    0.051   1.266     6.591   90.476   63.593
LGA    R    98_A      R    98_A     0.493     0    0.031   1.059     6.063   95.238   73.983
LGA    Q    99_A      Q    99_A     0.568     0    0.009   1.106     4.339   92.857   75.979
LGA    P   100_A      P   100_A     0.533     0    0.045   0.083     0.797   90.476   90.476
LGA    D   101_A      D   101_A     0.654     0    0.043   0.112     0.734   90.476   92.857
LGA    G   102_A      G   102_A     0.622     0    0.051   0.051     0.622   92.857   92.857
LGA    S   103_A      S   103_A     0.497     0    0.010   0.024     0.587  100.000   96.825
LGA    Y   104_A      Y   104_A     0.710     0    0.006   0.044     1.064   90.476   88.214
LGA    V   105_A      V   105_A     0.760     0    0.025   0.042     0.997   90.476   90.476
LGA    Q   106_A      Q   106_A     0.832     0    0.018   0.086     1.532   90.476   85.503
LGA    Y   107_A      Y   107_A     0.846     0    0.034   0.067     1.086   90.476   88.214
LGA    S   108_A      S   108_A     0.586     0    0.047   0.119     0.739   90.476   90.476
LGA    Q   109_A      Q   109_A     0.712     0    0.041   0.752     4.004   92.857   76.243
LGA    L   110_A      L   110_A     0.396     0    0.033   0.233     1.145   97.619   94.107
LGA    E   111_A      E   111_A     0.391     0    0.031   0.291     1.331  100.000   95.820
LGA    L   112_A      L   112_A     0.638     0    0.027   0.063     0.831   90.476   90.476
LGA    L   113_A      L   113_A     1.029     0    0.113   0.137     1.294   83.690   85.952
LGA    G   114_A      G   114_A     1.613     0    0.012   0.012     1.613   81.548   81.548
LGA    S   115_A      S   115_A     1.076     0    0.033   0.054     2.924   71.190   70.556
LGA    G   116_A      G   116_A     3.816     0    0.041   0.041     4.377   43.690   43.690

# 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):     0.930          0.931                  1.765           90.568   84.369

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    114    0.93    96.491    98.484    11.065

LGA_LOCAL      RMSD:   0.930  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.930  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   0.930  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.928139 * X  +  -0.372225 * Y  +   0.002486 * Z  +  10.899021
  Y_new =  -0.324427 * X  +  -0.812195 * Y  +  -0.484857 * Z  +  -8.894868
  Z_new =   0.182495 * X  +   0.449208 * Y  +  -0.874590 * Z  +   7.640557 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.336270 -0.183523  2.667107   [DEG:  -19.2669  -10.5151  152.8140 ]
ZXZ:  0.005127  2.635386  0.385890   [DEG:    0.2938  150.9965   22.1099 ]
 
# END of job
