
#######################################################
#                                                     #
#                        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       0.97     0.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.97     0.97
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       0.97     0.97
  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     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     4_A     E     4_A    114  114  114     32   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     5_A     E     5_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     6_A     E     6_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     7_A     R     7_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F     8_A     F     8_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     9_A     R     9_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    10_A     A    10_A    114  114  114     20   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    11_A     Y    11_A    114  114  114     20   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    12_A     Y    12_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    13_A     E    13_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    14_A     R    14_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    15_A     Y    15_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    16_A     F    16_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    17_A     A    17_A    114  114  114     21   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    18_A     A    18_A    114  114  114     21   91  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    19_A     L    19_A    114  114  114     28   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    20_A     A    20_A    114  114  114     28   91  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    21_A     A    21_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    22_A     R    22_A    114  114  114     28   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    23_A     D    23_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    24_A     Y    24_A    114  114  114     37   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    25_A     E    25_A    114  114  114     42   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    26_A     T    26_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    27_A     L    27_A    114  114  114     42   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    28_A     L    28_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    29_A     E    29_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    30_A     I    30_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    31_A     L    31_A    114  114  114     42   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    32_A     R    32_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    33_A     E    33_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    34_A     F    34_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    35_A     G    35_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    36_A     V    36_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    37_A     A    37_A    114  114  114     20   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     K    38_A     K    38_A    114  114  114     10   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    39_A     L    39_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    40_A     V    40_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    41_A     L    41_A    114  114  114     37   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     N    42_A     N    42_A    114  114  114     35   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    43_A     G    43_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    44_A     R    44_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    45_A     E    45_A    114  114  114     10   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    46_A     F    46_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    47_A     A    47_A    114  114  114     12   57  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    48_A     S    48_A    114  114  114     13   76  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P    49_A     P    49_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    50_A     E    50_A    114  114  114     19   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    51_A     E    51_A    114  114  114     13   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    52_A     A    52_A    114  114  114     21   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    53_A     V    53_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    54_A     Q    54_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     W    55_A     W    55_A    114  114  114     35   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    56_A     A    56_A    114  114  114     23   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    57_A     R    57_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    58_A     D    58_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    59_A     T    59_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    60_A     G    60_A    114  114  114     13   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    61_A     L    61_A    114  114  114     12   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    62_A     R    62_A    114  114  114     12   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    63_A     F    63_A    114  114  114     12   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    64_A     L    64_A    114  114  114     31   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    65_A     R    65_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    66_A     L    66_A    114  114  114     39   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    67_A     I    67_A    114  114  114     38   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    68_A     R    68_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    69_A     E    69_A    114  114  114     27   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    70_A     R    70_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    71_A     Y    71_A    114  114  114     27   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    72_A     E    72_A    114  114  114     11   43   93  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    73_A     D    73_A    114  114  114      4   24   40   96  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    74_A     G    74_A    114  114  114      4   19   55  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    75_A     V    75_A    114  114  114     24   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    76_A     Y    76_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    77_A     T    77_A    114  114  114     39   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    78_A     V    78_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    79_A     E    79_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    80_A     D    80_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    81_A     I    81_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    82_A     V    82_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    83_A     S    83_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    84_A     R    84_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    85_A     D    85_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    86_A     D    86_A    114  114  114     40   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    87_A     G    87_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    88_A     R    88_A    114  114  114     21   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    89_A     Y    89_A    114  114  114     31   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    90_A     Y    90_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    91_A     R    91_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     H    92_A     H    92_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    93_A     T    93_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    94_A     S    94_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    95_A     T    95_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    96_A     L    96_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    97_A     R    97_A    114  114  114     19   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    98_A     R    98_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    99_A     Q    99_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P   100_A     P   100_A    114  114  114     37   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D   101_A     D   101_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   102_A     G   102_A    114  114  114     21   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   103_A     S   103_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   104_A     Y   104_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V   105_A     V   105_A    114  114  114     34   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   106_A     Q   106_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   107_A     Y   107_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   108_A     S   108_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   109_A     Q   109_A    114  114  114     27   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   110_A     L   110_A    114  114  114     37   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E   111_A     E   111_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   112_A     L   112_A    114  114  114     43   94  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   113_A     L   113_A    114  114  114     40   93  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   114_A     G   114_A    114  114  114     21   81  110  112  113  113  113  113  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   115_A     S   115_A    114  114  114     23   91  110  112  113  113  113  113  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    6    7    9  112  112  113  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     43     94    110    112    113    113    113    113    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  37.72  82.46  96.49  98.25  99.12  99.12  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
GDT RMS_LOCAL    0.36   0.66   0.75   0.81   0.87   0.87   0.87   0.87   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97
GDT RMS_ALL_AT   1.06   0.99   0.98   0.98   0.98   0.98   0.98   0.98   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97   0.97

# 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:  E    45_A      E    45_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
#   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     0.619     0    0.465   0.465     2.644   86.905   86.905
LGA    E     4_A      E     4_A     0.392     0    0.095   0.195     1.072   97.619   93.704
LGA    E     5_A      E     5_A     0.740     0    0.032   0.139     1.058   90.476   89.471
LGA    E     6_A      E     6_A     0.831     0    0.019   0.881     3.277   90.476   77.619
LGA    R     7_A      R     7_A     0.510     0    0.017   0.384     1.552   95.238   92.424
LGA    F     8_A      F     8_A     0.672     0    0.016   0.126     1.014   90.476   89.654
LGA    R     9_A      R     9_A     0.762     0    0.025   0.931     4.067   90.476   72.554
LGA    A    10_A      A    10_A     1.018     0    0.042   0.044     1.152   83.690   83.238
LGA    Y    11_A      Y    11_A     1.110     0    0.088   1.347     9.686   88.214   49.722
LGA    Y    12_A      Y    12_A     1.068     0    0.015   1.354     8.054   81.429   53.254
LGA    E    13_A      E    13_A     1.085     0    0.013   0.876     2.269   85.952   78.730
LGA    R    14_A      R    14_A     0.913     0    0.007   0.064     1.035   88.214   89.654
LGA    Y    15_A      Y    15_A     0.845     0    0.018   0.221     2.362   90.476   80.952
LGA    F    16_A      F    16_A     0.608     0    0.044   1.313     7.540   90.476   58.052
LGA    A    17_A      A    17_A     0.963     0    0.028   0.028     1.137   85.952   85.048
LGA    A    18_A      A    18_A     1.198     0    0.025   0.026     1.235   81.429   81.429
LGA    L    19_A      L    19_A     1.100     0    0.034   1.372     3.545   81.429   72.679
LGA    A    20_A      A    20_A     1.211     0    0.059   0.062     1.493   81.429   81.429
LGA    A    21_A      A    21_A     0.924     0    0.021   0.024     1.079   88.214   88.667
LGA    R    22_A      R    22_A     0.853     0    0.021   1.106     3.360   90.476   82.727
LGA    D    23_A      D    23_A     0.501     0    0.036   0.116     0.738   90.476   94.048
LGA    Y    24_A      Y    24_A     0.772     0    0.035   0.113     1.279   88.214   87.460
LGA    E    25_A      E    25_A     0.759     0    0.057   0.946     3.885   90.476   77.037
LGA    T    26_A      T    26_A     0.533     0    0.005   0.051     0.604   90.476   90.476
LGA    L    27_A      L    27_A     0.738     0    0.010   1.378     3.698   90.476   78.155
LGA    L    28_A      L    28_A     0.575     0    0.019   0.108     0.626   90.476   92.857
LGA    E    29_A      E    29_A     0.427     0    0.034   0.353     1.739  100.000   93.810
LGA    I    30_A      I    30_A     0.586     0    0.022   0.040     0.742   90.476   90.476
LGA    L    31_A      L    31_A     0.626     0    0.008   0.081     0.774   90.476   90.476
LGA    R    32_A      R    32_A     0.455     0    0.021   1.096     6.549  100.000   74.156
LGA    E    33_A      E    33_A     0.544     0    0.009   0.571     2.842   92.857   76.720
LGA    F    34_A      F    34_A     0.566     0    0.031   0.110     0.870   90.476   91.342
LGA    G    35_A      G    35_A     0.658     0    0.087   0.087     0.658   92.857   92.857
LGA    V    36_A      V    36_A     0.459     0    0.051   0.133     0.649   97.619   95.918
LGA    A    37_A      A    37_A     0.749     0    0.041   0.046     0.950   90.476   90.476
LGA    K    38_A      K    38_A     1.057     0    0.043   0.565     1.693   85.952   84.497
LGA    L    39_A      L    39_A     0.859     0    0.046   1.223     5.594   90.476   68.929
LGA    V    40_A      V    40_A     0.915     0    0.042   0.046     1.225   85.952   87.891
LGA    L    41_A      L    41_A     0.790     0    0.049   0.757     2.203   90.476   86.250
LGA    N    42_A      N    42_A     0.762     0    0.023   0.049     1.258   90.476   87.083
LGA    G    43_A      G    43_A     0.556     0    0.032   0.032     0.647   90.476   90.476
LGA    R    44_A      R    44_A     0.721     0    0.046   1.290     7.269   90.476   63.333
LGA    E    45_A      E    45_A     1.026     0    0.021   0.486     3.648   88.214   74.603
LGA    F    46_A      F    46_A     0.486     0    0.139   0.235     2.322   90.595   83.333
LGA    A    47_A      A    47_A     1.400     0    0.029   0.031     1.915   79.405   78.095
LGA    S    48_A      S    48_A     1.347     0    0.054   0.110     1.732   83.690   80.079
LGA    P    49_A      P    49_A     0.451     0    0.053   0.074     0.943   97.619   95.918
LGA    E    50_A      E    50_A     0.747     0    0.007   1.220     3.378   90.476   81.005
LGA    E    51_A      E    51_A     0.993     0    0.026   1.190     5.012   90.476   71.376
LGA    A    52_A      A    52_A     0.901     0    0.010   0.016     1.005   90.476   88.667
LGA    V    53_A      V    53_A     0.280     0    0.034   0.044     0.475  100.000  100.000
LGA    Q    54_A      Q    54_A     0.513     0    0.013   0.092     1.417   97.619   90.635
LGA    W    55_A      W    55_A     0.672     0    0.011   0.055     1.495   90.476   84.660
LGA    A    56_A      A    56_A     0.687     0    0.013   0.015     0.809   90.476   90.476
LGA    R    57_A      R    57_A     0.466     0    0.009   1.285     6.388   97.619   73.983
LGA    D    58_A      D    58_A     0.427     0    0.031   0.052     0.461  100.000  100.000
LGA    T    59_A      T    59_A     0.335     0    0.048   0.060     0.759   95.238   94.558
LGA    G    60_A      G    60_A     0.684     0    0.020   0.020     0.824   90.476   90.476
LGA    L    61_A      L    61_A     0.783     0    0.015   0.104     1.497   88.214   85.952
LGA    R    62_A      R    62_A     1.063     0    0.069   0.915     4.735   88.214   62.251
LGA    F    63_A      F    63_A     1.053     0    0.013   0.113     1.269   81.429   87.229
LGA    L    64_A      L    64_A     0.944     0    0.043   0.283     1.209   88.214   85.952
LGA    R    65_A      R    65_A     0.649     0    0.030   0.522     1.856   95.238   89.004
LGA    L    66_A      L    66_A     0.398     0    0.007   0.090     0.938  100.000   96.429
LGA    I    67_A      I    67_A     0.393     0    0.046   0.082     0.698   95.238   95.238
LGA    R    68_A      R    68_A     0.629     0    0.013   1.077     4.944   90.476   75.541
LGA    E    69_A      E    69_A     0.807     0    0.041   0.662     2.595   90.476   78.201
LGA    R    70_A      R    70_A     0.741     0    0.013   0.935     5.658   90.476   65.628
LGA    Y    71_A      Y    71_A     1.081     0    0.067   0.124     1.599   85.952   82.262
LGA    E    72_A      E    72_A     2.157     0    0.150   0.685     3.808   59.524   55.926
LGA    D    73_A      D    73_A     3.426     0    0.314   1.230     8.795   61.190   38.214
LGA    G    74_A      G    74_A     2.330     0    0.026   0.026     2.713   66.905   66.905
LGA    V    75_A      V    75_A     0.903     0    0.050   0.084     1.543   83.810   86.667
LGA    Y    76_A      Y    76_A     0.651     0    0.031   0.248     1.058   95.238   90.556
LGA    T    77_A      T    77_A     0.223     0    0.018   0.031     0.687  100.000   95.918
LGA    V    78_A      V    78_A     0.041     0    0.035   0.073     0.371  100.000  100.000
LGA    E    79_A      E    79_A     0.103     0    0.040   0.187     0.959  100.000   97.884
LGA    D    80_A      D    80_A     0.035     0    0.016   0.419     1.034  100.000   96.488
LGA    I    81_A      I    81_A     0.268     0    0.027   0.115     0.608  100.000   97.619
LGA    V    82_A      V    82_A     0.251     0    0.017   0.044     0.322  100.000  100.000
LGA    S    83_A      S    83_A     0.594     0    0.031   0.095     0.955   95.238   93.651
LGA    R    84_A      R    84_A     0.424     0    0.009   0.580     3.230  100.000   87.056
LGA    D    85_A      D    85_A     0.370     0    0.091   0.191     0.960  100.000   96.429
LGA    D    86_A      D    86_A     0.754     0    0.045   0.042     1.811   90.476   84.881
LGA    G    87_A      G    87_A     0.567     0    0.052   0.052     1.096   90.595   90.595
LGA    R    88_A      R    88_A     1.133     0    0.049   1.265     3.113   88.214   78.009
LGA    Y    89_A      Y    89_A     0.847     0    0.014   0.165     1.982   88.214   80.119
LGA    Y    90_A      Y    90_A     0.421     0    0.035   0.111     1.132   97.619   92.897
LGA    R    91_A      R    91_A     0.304     0    0.029   0.605     2.602  100.000   90.996
LGA    H    92_A      H    92_A     0.535     0    0.012   0.108     0.825   95.238   93.333
LGA    T    93_A      T    93_A     0.517     0    0.036   0.043     0.830   92.857   91.837
LGA    S    94_A      S    94_A     0.603     0    0.052   0.591     2.055   92.857   87.778
LGA    T    95_A      T    95_A     0.633     0    0.074   0.085     1.082   88.214   89.184
LGA    L    96_A      L    96_A     0.755     0    0.046   1.261     3.592   90.476   80.179
LGA    R    97_A      R    97_A     1.091     0    0.066   1.315     7.362   85.952   59.134
LGA    R    98_A      R    98_A     0.774     0    0.023   1.070     6.246   90.476   71.602
LGA    Q    99_A      Q    99_A     0.603     0    0.008   1.144     4.667   90.476   79.259
LGA    P   100_A      P   100_A     0.746     0    0.040   0.076     0.872   90.476   90.476
LGA    D   101_A      D   101_A     0.374     0    0.041   0.080     0.671   92.857   94.048
LGA    G   102_A      G   102_A     0.775     0    0.042   0.042     0.775   90.476   90.476
LGA    S   103_A      S   103_A     0.754     0    0.012   0.021     0.786   90.476   90.476
LGA    Y   104_A      Y   104_A     0.836     0    0.005   0.095     1.468   90.476   85.198
LGA    V   105_A      V   105_A     0.890     0    0.028   0.061     1.123   88.214   87.891
LGA    Q   106_A      Q   106_A     0.732     0    0.015   0.073     1.419   90.476   86.455
LGA    Y   107_A      Y   107_A     0.674     0    0.048   0.112     0.974   90.476   90.476
LGA    S   108_A      S   108_A     0.489     0    0.074   0.153     0.804   95.238   93.651
LGA    Q   109_A      Q   109_A     0.876     0    0.041   0.817     3.900   90.476   76.720
LGA    L   110_A      L   110_A     0.590     0    0.031   0.186     1.267   95.238   92.917
LGA    E   111_A      E   111_A     0.485     0    0.031   0.329     1.432  100.000   95.820
LGA    L   112_A      L   112_A     0.563     0    0.027   0.063     0.817   92.857   91.667
LGA    L   113_A      L   113_A     0.966     0    0.122   0.142     1.276   85.952   87.083
LGA    G   114_A      G   114_A     1.466     0    0.023   0.023     1.466   81.429   81.429
LGA    S   115_A      S   115_A     1.338     0    0.041   0.052     3.676   65.833   61.905
LGA    G   116_A      G   116_A     4.816     0    0.048   0.048     5.491   33.452   33.452

# 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):     0.975          0.986                  1.758           89.859   83.837

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    113    0.87    94.956    98.022    11.632

LGA_LOCAL      RMSD:   0.871  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.978  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   0.975  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.611228 * X  +  -0.608254 * Y  +  -0.506387 * Z  +   9.869050
  Y_new =  -0.133791 * X  +   0.551202 * Y  +  -0.823575 * Z  +  -5.012507
  Z_new =   0.780064 * X  +   0.571142 * Y  +   0.255531 * Z  +   5.608336 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.215491 -0.894769  1.150104   [DEG:  -12.3467  -51.2665   65.8961 ]
ZXZ: -0.551278  1.312399  0.938802   [DEG:  -31.5859   75.1949   53.7894 ]
 
# END of job
