
#######################################################
#                                                     #
#                        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     20  100  110  111  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     37  100  110  111  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     30  100  110  111  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     31  100  110  111  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     37  100  110  111  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     31  100  110  111  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  100  110  111  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     29  100  110  111  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     22  100  110  111  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   99  110  111  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   99  110  111  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  100  110  111  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  100  110  111  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     32  100  110  111  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     22  100  110  111  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   97  110  111  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   97  110  111  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   97  110  111  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   99  110  111  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  100  110  111  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     47  100  110  111  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  100  110  111  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     22  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     47  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     21  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     32  100  110  111  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     18  100  110  111  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     56  100  110  111  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     56  100  110  111  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     31  100  110  111  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     29  100  110  111  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     46  100  110  111  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     56  100  110  111  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     56  100  110  111  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     29  100  110  111  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     24  100  110  111  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     18  100  110  111  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     11   92  110  111  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     29  100  110  111  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     29  100  110  111  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     56  100  110  111  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     49  100  110  111  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     33  100  110  111  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     30  100  110  111  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     30  100  110  111  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     23  100  110  111  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      6   31   92  111  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      6   23   33   50  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      3   15   47  103  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     19  100  110  111  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     30  100  110  111  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     53  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     21  100  110  111  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     56  100  110  111  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     54  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     49  100  110  111  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     29  100  110  111  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     29  100  110  111  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     19  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     47  100  110  111  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     56  100  110  111  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     56  100  110  111  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     56  100  110  111  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     21  100  110  111  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     20   64  110  111  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     20   95  110  111  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    3    3   71   91  111  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     56    100    110    111    113    113    114    114    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  49.12  87.72  96.49  97.37  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    0.33   0.63   0.70   0.74   0.86   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   0.93   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   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:  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:  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     0.993     0    0.365   0.365     2.795   84.524   84.524
LGA    E     4_A      E     4_A     0.471     0    0.097   0.382     1.548   97.619   91.693
LGA    E     5_A      E     5_A     0.756     0    0.036   0.230     1.048   90.476   89.471
LGA    E     6_A      E     6_A     0.827     0    0.012   0.980     3.635   90.476   76.032
LGA    R     7_A      R     7_A     0.465     0    0.012   0.771     3.723   97.619   81.991
LGA    F     8_A      F     8_A     0.634     0    0.018   0.194     1.190   90.476   89.697
LGA    R     9_A      R     9_A     0.795     0    0.068   0.952     3.853   88.214   72.294
LGA    A    10_A      A    10_A     0.857     0    0.028   0.040     0.950   90.476   90.476
LGA    Y    11_A      Y    11_A     0.973     0    0.090   1.383     9.602   90.476   50.476
LGA    Y    12_A      Y    12_A     1.123     0    0.038   1.354     8.032   81.429   52.817
LGA    E    13_A      E    13_A     1.211     0    0.021   0.862     2.193   81.429   76.720
LGA    R    14_A      R    14_A     0.862     0    0.020   0.111     0.986   90.476   90.476
LGA    Y    15_A      Y    15_A     0.906     0    0.043   0.159     2.293   85.952   79.444
LGA    F    16_A      F    16_A     0.751     0    0.052   1.316     7.863   90.476   55.844
LGA    A    17_A      A    17_A     0.968     0    0.064   0.075     1.265   85.952   85.048
LGA    A    18_A      A    18_A     1.216     0    0.066   0.078     1.244   81.429   81.429
LGA    L    19_A      L    19_A     1.254     0    0.025   1.342     3.450   81.429   72.381
LGA    A    20_A      A    20_A     1.386     0    0.047   0.056     1.584   79.286   79.714
LGA    A    21_A      A    21_A     1.059     0    0.071   0.083     1.181   85.952   85.048
LGA    R    22_A      R    22_A     1.023     0    0.041   1.034     3.276   85.952   77.879
LGA    D    23_A      D    23_A     0.581     0    0.018   0.138     0.792   90.476   92.857
LGA    Y    24_A      Y    24_A     0.909     0    0.044   0.102     1.473   88.214   85.198
LGA    E    25_A      E    25_A     0.886     0    0.138   1.343     6.095   92.857   68.677
LGA    T    26_A      T    26_A     0.618     0    0.012   0.049     0.763   90.476   90.476
LGA    L    27_A      L    27_A     0.748     0    0.015   1.384     3.624   90.476   79.167
LGA    L    28_A      L    28_A     0.458     0    0.034   0.125     0.529   95.238   97.619
LGA    E    29_A      E    29_A     0.481     0    0.093   0.410     1.758   97.619   92.751
LGA    I    30_A      I    30_A     0.580     0    0.014   0.048     0.796   90.476   90.476
LGA    L    31_A      L    31_A     0.526     0    0.017   0.058     0.654   95.238   92.857
LGA    R    32_A      R    32_A     0.469     0    0.035   1.129     6.817   95.238   72.424
LGA    E    33_A      E    33_A     0.678     0    0.011   0.535     2.544   90.476   78.201
LGA    F    34_A      F    34_A     0.514     0    0.031   0.148     0.763   90.476   93.074
LGA    G    35_A      G    35_A     0.723     0    0.067   0.067     0.723   90.476   90.476
LGA    V    36_A      V    36_A     0.592     0    0.044   0.110     0.811   90.476   91.837
LGA    A    37_A      A    37_A     0.616     0    0.094   0.113     0.777   90.476   92.381
LGA    K    38_A      K    38_A     0.779     0    0.056   0.612     1.697   90.476   86.508
LGA    L    39_A      L    39_A     0.772     0    0.023   1.250     5.209   90.476   71.488
LGA    V    40_A      V    40_A     0.830     0    0.022   0.046     0.907   90.476   90.476
LGA    L    41_A      L    41_A     0.621     0    0.028   0.711     1.941   90.476   87.262
LGA    N    42_A      N    42_A     0.571     0    0.035   0.481     1.803   95.238   90.655
LGA    G    43_A      G    43_A     0.504     0    0.027   0.027     0.614   95.238   95.238
LGA    R    44_A      R    44_A     0.572     0    0.051   1.301     7.082   92.857   63.550
LGA    E    45_A      E    45_A     0.854     0    0.022   0.417     3.369   90.476   77.407
LGA    F    46_A      F    46_A     0.537     0    0.034   0.228     1.489   95.238   90.563
LGA    A    47_A      A    47_A     0.543     0    0.032   0.032     0.783   92.857   94.286
LGA    S    48_A      S    48_A     0.548     0    0.070   0.087     0.772   97.619   95.238
LGA    P    49_A      P    49_A     0.242     0    0.068   0.076     0.484  100.000  100.000
LGA    E    50_A      E    50_A     0.668     0    0.014   1.252     3.850   92.857   80.370
LGA    E    51_A      E    51_A     0.731     0    0.034   1.288     5.038   90.476   73.333
LGA    A    52_A      A    52_A     0.749     0    0.030   0.030     0.913   90.476   90.476
LGA    V    53_A      V    53_A     0.204     0    0.063   0.074     0.332  100.000  100.000
LGA    Q    54_A      Q    54_A     0.361     0    0.036   0.106     1.123  100.000   93.704
LGA    W    55_A      W    55_A     0.800     0    0.038   0.147     1.872   90.476   79.728
LGA    A    56_A      A    56_A     0.795     0    0.010   0.015     0.967   90.476   90.476
LGA    R    57_A      R    57_A     0.455     0    0.030   1.280     6.485   97.619   73.463
LGA    D    58_A      D    58_A     0.367     0    0.051   0.094     0.547   97.619   98.810
LGA    T    59_A      T    59_A     0.440     0    0.047   0.060     1.108   95.238   91.905
LGA    G    60_A      G    60_A     0.628     0    0.025   0.025     0.761   90.476   90.476
LGA    L    61_A      L    61_A     0.866     0    0.018   0.157     1.706   88.214   83.750
LGA    R    62_A      R    62_A     1.031     0    0.077   0.907     4.755   90.595   64.372
LGA    F    63_A      F    63_A     1.052     0    0.024   0.088     1.347   83.690   88.052
LGA    L    64_A      L    64_A     0.863     0    0.029   0.303     1.188   88.214   87.083
LGA    R    65_A      R    65_A     0.900     0    0.042   1.053     5.852   92.857   69.567
LGA    L    66_A      L    66_A     0.286     0    0.038   0.170     0.710   97.619   95.238
LGA    I    67_A      I    67_A     0.385     0    0.027   0.096     0.667   97.619   96.429
LGA    R    68_A      R    68_A     0.559     0    0.028   1.094     4.885   90.476   74.372
LGA    E    69_A      E    69_A     0.659     0    0.018   0.281     1.668   88.214   85.503
LGA    R    70_A      R    70_A     0.653     0    0.015   0.996     5.569   90.476   66.277
LGA    Y    71_A      Y    71_A     1.024     0    0.041   0.202     1.831   83.690   82.302
LGA    E    72_A      E    72_A     2.333     0    0.108   0.615     3.691   57.738   55.132
LGA    D    73_A      D    73_A     3.775     0    0.376   1.259     9.207   57.619   35.417
LGA    G    74_A      G    74_A     2.637     0    0.021   0.021     3.017   61.190   61.190
LGA    V    75_A      V    75_A     1.016     0    0.045   0.099     1.663   81.548   86.735
LGA    Y    76_A      Y    76_A     0.687     0    0.028   0.331     1.087   95.238   90.556
LGA    T    77_A      T    77_A     0.109     0    0.016   0.061     0.672   97.619   95.918
LGA    V    78_A      V    78_A     0.178     0    0.024   0.046     0.521  100.000   98.639
LGA    E    79_A      E    79_A     0.098     0    0.019   0.143     0.762  100.000   98.942
LGA    D    80_A      D    80_A     0.116     0    0.034   0.583     1.377  100.000   95.357
LGA    I    81_A      I    81_A     0.224     0    0.047   0.110     0.552  100.000   98.810
LGA    V    82_A      V    82_A     0.219     0    0.067   0.086     0.469  100.000  100.000
LGA    S    83_A      S    83_A     0.345     0    0.043   0.135     0.764  100.000   98.413
LGA    R    84_A      R    84_A     0.321     0    0.027   0.548     3.160  100.000   87.056
LGA    D    85_A      D    85_A     0.376     0    0.107   0.111     0.722   97.619   95.238
LGA    D    86_A      D    86_A     0.746     0    0.026   0.147     1.306   90.476   85.952
LGA    G    87_A      G    87_A     0.268     0    0.049   0.049     0.621   97.619   97.619
LGA    R    88_A      R    88_A     0.691     0    0.019   1.006     3.649   92.857   80.000
LGA    Y    89_A      Y    89_A     0.605     0    0.028   0.058     1.291   90.476   86.706
LGA    Y    90_A      Y    90_A     0.321     0    0.020   0.121     0.571  100.000   99.206
LGA    R    91_A      R    91_A     0.326     0    0.013   0.380     2.279  100.000   90.043
LGA    H    92_A      H    92_A     0.392     0    0.016   0.115     0.677  100.000   98.095
LGA    T    93_A      T    93_A     0.360     0    0.017   0.039     0.600   97.619   98.639
LGA    S    94_A      S    94_A     0.615     0    0.020   0.616     1.947   92.857   89.127
LGA    T    95_A      T    95_A     0.817     0    0.042   0.077     1.054   88.214   89.184
LGA    L    96_A      L    96_A     0.775     0    0.040   0.223     1.273   92.857   88.274
LGA    R    97_A      R    97_A     0.649     0    0.043   1.246     6.601   90.476   63.593
LGA    R    98_A      R    98_A     0.501     0    0.023   1.053     6.069   92.857   72.468
LGA    Q    99_A      Q    99_A     0.597     0    0.013   0.968     4.345   92.857   75.979
LGA    P   100_A      P   100_A     0.594     0    0.046   0.097     0.929   90.476   90.476
LGA    D   101_A      D   101_A     0.692     0    0.072   0.106     0.798   90.476   91.667
LGA    G   102_A      G   102_A     0.616     0    0.039   0.039     0.704   90.476   90.476
LGA    S   103_A      S   103_A     0.539     0    0.018   0.045     0.613   95.238   95.238
LGA    Y   104_A      Y   104_A     0.697     0    0.035   0.145     1.318   90.476   87.460
LGA    V   105_A      V   105_A     0.723     0    0.008   0.034     0.978   90.476   90.476
LGA    Q   106_A      Q   106_A     0.843     0    0.026   0.150     1.415   90.476   86.455
LGA    Y   107_A      Y   107_A     0.784     0    0.008   0.057     1.044   90.476   89.722
LGA    S   108_A      S   108_A     0.566     0    0.026   0.059     0.637   90.476   90.476
LGA    Q   109_A      Q   109_A     0.695     0    0.030   0.752     4.050   92.857   76.243
LGA    L   110_A      L   110_A     0.372     0    0.039   0.189     1.047   97.619   95.298
LGA    E   111_A      E   111_A     0.353     0    0.017   0.357     1.140  100.000   96.878
LGA    L   112_A      L   112_A     0.608     0    0.015   0.067     0.751   92.857   91.667
LGA    L   113_A      L   113_A     0.971     0    0.095   0.127     1.220   85.952   87.083
LGA    G   114_A      G   114_A     1.522     0    0.023   0.023     1.522   81.548   81.548
LGA    S   115_A      S   115_A     1.089     0    0.068   0.085     2.934   71.190   70.556
LGA    G   116_A      G   116_A     3.867     0    0.052   0.052     4.409   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):     0.928          0.923                  1.764           90.615   84.544

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    114    0.93    96.272    98.473    11.090

LGA_LOCAL      RMSD:   0.928  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.928  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   0.928  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.938439 * X  +  -0.345277 * Y  +   0.010731 * Z  +  11.056627
  Y_new =  -0.300689 * X  +  -0.831756 * Y  +  -0.466656 * Z  +  -8.683229
  Z_new =   0.170051 * X  +   0.434702 * Y  +  -0.884374 * Z  +   7.541461 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.310079 -0.170881  2.684739   [DEG:  -17.7662   -9.7908  153.8242 ]
ZXZ:  0.022991  2.655947  0.372889   [DEG:    1.3173  152.1746   21.3650 ]
 
# END of job
