
#######################################################
#                                                     #
#                        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  134 ( 1014),  selected  133 , name one
# Molecule2: number of CA atoms  133 ( 1010),  selected  133 , 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:   133       2_A - 134_A       1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   133       2_A - 134_A       1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.98     1.24
  LCS_AVERAGE:     98.52

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  133
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     S     2_A     S     2_A      3  133  133      0    3    3    4    5    5    7   10   16   75  119  132  133  133  133  133  133  133  133  133 
LCS_GDT     M     3_A     M     3_A    132  133  133      3   21   81  122  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A     4_A     A     4_A    132  133  133      3   14   21   32   48   93  130  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E     5_A     E     5_A    132  133  133     26   98  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L     6_A     L     6_A    132  133  133      3   10  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     K     7_A     K     7_A    132  133  133     23  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Q     8_A     Q     8_A    132  133  133     25  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E     9_A     E     9_A    132  133  133     41  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     W    10_A     W    10_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     I    11_A     I    11_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     N    12_A     N    12_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T    13_A     T    13_A    132  133  133     67  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    14_A     A    14_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     I    15_A     I    15_A    132  133  133     58  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    16_A     E    16_A    132  133  133     38  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    17_A     A    17_A    132  133  133      6   74  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L    18_A     L    18_A    132  133  133      3   26  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     D    19_A     D    19_A    132  133  133      4  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     K    20_A     K    20_A    132  133  133     30  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    21_A     A    21_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Y    22_A     Y    22_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    23_A     V    23_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P    24_A     P    24_A    132  133  133     68  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Y    25_A     Y    25_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     S    26_A     S    26_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     H    27_A     H    27_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F    28_A     F    28_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P    29_A     P    29_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    30_A     V    30_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    31_A     G    31_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    32_A     A    32_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     C    33_A     C    33_A    132  133  133     64  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L    34_A     L    34_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    35_A     V    35_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T    36_A     T    36_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    37_A     E    37_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     S    38_A     S    38_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    39_A     G    39_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     K    40_A     K    40_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     I    41_A     I    41_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Y    42_A     Y    42_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Q    43_A     Q    43_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    44_A     G    44_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     I    45_A     I    45_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     N    46_A     N    46_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     I    47_A     I    47_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    48_A     E    48_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     N    49_A     N    49_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    50_A     A    50_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     S    51_A     S    51_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F    52_A     F    52_A    132  133  133     62  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    53_A     G    53_A    132  133  133     55  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L    54_A     L    54_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T    55_A     T    55_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     N    56_A     N    56_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     C    57_A     C    57_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    58_A     A    58_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    59_A     E    59_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     R    60_A     R    60_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T    61_A     T    61_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    62_A     A    62_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F    63_A     F    63_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F    64_A     F    64_A    132  133  133     68  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     K    65_A     K    65_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    66_A     A    66_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    67_A     V    67_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     S    68_A     S    68_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    69_A     E    69_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    70_A     G    70_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    71_A     E    71_A    132  133  133     47  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     R    72_A     R    72_A    132  133  133     55  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     S    73_A     S    73_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F    74_A     F    74_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T    75_A     T    75_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     H    76_A     H    76_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L    77_A     L    77_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    78_A     V    78_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    79_A     V    79_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    80_A     A    80_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    81_A     G    81_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     H    82_A     H    82_A    132  133  133     55  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T    83_A     T    83_A    132  133  133      6   99  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P    84_A     P    84_A    132  133  133     12   40  119  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     D    85_A     D    85_A    132  133  133     65  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P    86_A     P    86_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     I    87_A     I    87_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     S    88_A     S    88_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P    89_A     P    89_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     C    90_A     C    90_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G    91_A     G    91_A    132  133  133     62  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    92_A     A    92_A    132  133  133     68  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     C    93_A     C    93_A    132  133  133     68  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     R    94_A     R    94_A    132  133  133     68  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Q    95_A     Q    95_A    132  133  133     54  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V    96_A     V    96_A    132  133  133     54  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     M    97_A     M    97_A    132  133  133     54  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A    98_A     A    98_A    132  133  133     62  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E    99_A     E    99_A    132  133  133     62  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F   100_A     F   100_A    132  133  133      9   81  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     C   101_A     C   101_A    132  133  133     11  108  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A   102_A     A   102_A    132  133  133      9  102  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P   103_A     P   103_A    132  133  133     40  104  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     D   104_A     D   104_A    132  133  133      5   31  111  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     M   105_A     M   105_A    132  133  133      9   93  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P   106_A     P   106_A    132  133  133     42  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V   107_A     V   107_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T   108_A     T   108_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L   109_A     L   109_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V   110_A     V   110_A    132  133  133     53  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G   111_A     G   111_A    132  133  133     21  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     D   112_A     D   112_A    132  133  133      3   55  121  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     N   113_A     N   113_A    132  133  133      3   40  119  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     G   114_A     G   114_A    132  133  133     23  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V   115_A     V   115_A    132  133  133     40  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T   116_A     T   116_A    132  133  133     53  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     K   117_A     K   117_A    132  133  133     65  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A   118_A     A   118_A    132  133  133     42  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T   119_A     T   119_A    132  133  133     57  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T   120_A     T   120_A    132  133  133      5  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     V   121_A     V   121_A    132  133  133     26  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     R   122_A     R   122_A    132  133  133     61  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E   123_A     E   123_A    132  133  133     51  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L   124_A     L   124_A    132  133  133     27  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L   125_A     L   125_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     P   126_A     P   126_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     Y   127_A     Y   127_A    132  133  133     69  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     A   128_A     A   128_A    132  133  133     41  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     F   129_A     F   129_A    132  133  133     54  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     T   130_A     T   130_A    132  133  133     54  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     E   131_A     E   131_A    132  133  133     54  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     K   132_A     K   132_A    132  133  133     62  110  123  128  129  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     D   133_A     D   133_A    132  133  133      3   39   79  118  127  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_GDT     L   134_A     L   134_A    132  133  133      3   39   94  124  128  130  131  132  132  132  132  132  133  133  133  133  133  133  133  133 
LCS_AVERAGE  LCS_A:  99.51  (  98.52  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     69    110    123    128    129    130    131    132    132    132    132    132    133    133    133    133    133    133    133    133 
GDT PERCENT_AT  51.88  82.71  92.48  96.24  96.99  97.74  98.50  99.25  99.25  99.25  99.25  99.25 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.54   0.66   0.75   0.80   0.86   0.90   0.98   0.98   0.98   0.98   0.98   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23
GDT RMS_ALL_AT   1.29   1.26   1.25   1.25   1.25   1.25   1.24   1.24   1.24   1.24   1.24   1.24   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  F   100_A      F   100_A
#   possible swapping detected:  Y   127_A      Y   127_A
#   possible swapping detected:  D   133_A      D   133_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     2_A      S     2_A     8.735     0    0.243   0.634    10.876    4.405    2.937
LGA    M     3_A      M     3_A     3.155     0    0.644   0.865     5.262   48.929   46.012
LGA    A     4_A      A     4_A     4.540     0    0.554   0.555     6.860   42.024   36.286
LGA    E     5_A      E     5_A     1.359     0    0.114   1.187     3.243   77.262   71.481
LGA    L     6_A      L     6_A     1.329     0    0.060   0.360     2.605   79.286   75.179
LGA    K     7_A      K     7_A     1.009     0    0.062   0.365     1.983   88.214   84.497
LGA    Q     8_A      Q     8_A     1.014     0    0.050   1.329     4.452   85.952   73.598
LGA    E     9_A      E     9_A     0.968     0    0.030   1.138     4.891   90.476   66.614
LGA    W    10_A      W    10_A     0.338     0    0.065   1.383     6.390   97.619   72.449
LGA    I    11_A      I    11_A     0.216     0    0.035   0.089     0.733  100.000   97.619
LGA    N    12_A      N    12_A     0.199     0    0.039   0.849     3.059  100.000   85.952
LGA    T    13_A      T    13_A     0.448     0    0.023   1.150     3.005   97.619   86.463
LGA    A    14_A      A    14_A     0.327     0    0.028   0.036     0.680   95.238   96.190
LGA    I    15_A      I    15_A     0.621     0    0.027   0.913     3.097   92.857   79.226
LGA    E    16_A      E    16_A     0.898     0    0.074   0.981     3.325   85.952   81.958
LGA    A    17_A      A    17_A     1.380     0    0.109   0.104     1.630   77.143   78.000
LGA    L    18_A      L    18_A     1.617     0    0.021   1.040     2.831   75.000   71.964
LGA    D    19_A      D    19_A     1.047     0    0.066   0.098     1.452   85.952   83.690
LGA    K    20_A      K    20_A     0.810     0    0.074   1.043     3.386   90.476   81.958
LGA    A    21_A      A    21_A     0.290     0    0.034   0.047     0.554   97.619   98.095
LGA    Y    22_A      Y    22_A     0.415     0    0.055   0.110     1.433  100.000   90.635
LGA    V    23_A      V    23_A     0.282     0    0.138   0.183     0.916  100.000   95.918
LGA    P    24_A      P    24_A     0.553     0    0.101   0.211     1.103   90.595   90.544
LGA    Y    25_A      Y    25_A     0.384     0    0.032   0.310     1.887  100.000   87.024
LGA    S    26_A      S    26_A     0.196     0    0.050   0.058     0.247  100.000  100.000
LGA    H    27_A      H    27_A     0.192     0    0.048   0.370     2.110  100.000   88.238
LGA    F    28_A      F    28_A     0.291     0    0.087   0.130     1.435   97.619   91.472
LGA    P    29_A      P    29_A     0.421     0    0.019   0.422     1.895   97.619   90.748
LGA    V    30_A      V    30_A     0.486     0    0.026   0.066     0.614   97.619   94.558
LGA    G    31_A      G    31_A     0.324     0    0.042   0.042     0.387  100.000  100.000
LGA    A    32_A      A    32_A     0.283     0    0.025   0.027     0.442  100.000  100.000
LGA    C    33_A      C    33_A     0.413     0    0.108   0.827     3.289  100.000   90.079
LGA    L    34_A      L    34_A     0.593     0    0.012   0.114     1.128   92.857   90.536
LGA    V    35_A      V    35_A     0.714     0    0.025   0.107     0.881   90.476   90.476
LGA    T    36_A      T    36_A     0.503     0    0.073   0.077     0.631   92.857   91.837
LGA    E    37_A      E    37_A     0.572     0    0.088   1.042     5.042   90.595   72.646
LGA    S    38_A      S    38_A     0.723     0    0.091   0.573     2.355   88.214   84.683
LGA    G    39_A      G    39_A     0.746     0    0.105   0.105     0.746   90.476   90.476
LGA    K    40_A      K    40_A     0.633     0    0.033   0.278     1.696   90.476   88.519
LGA    I    41_A      I    41_A     0.725     0    0.080   1.200     3.238   90.476   79.048
LGA    Y    42_A      Y    42_A     0.416     0    0.028   0.043     0.664  100.000   96.032
LGA    Q    43_A      Q    43_A     0.182     0    0.076   0.816     3.092  100.000   86.455
LGA    G    44_A      G    44_A     0.344     0    0.040   0.040     0.404  100.000  100.000
LGA    I    45_A      I    45_A     0.119     0    0.025   1.668     4.437  100.000   81.429
LGA    N    46_A      N    46_A     0.101     0    0.039   0.220     0.744  100.000   98.810
LGA    I    47_A      I    47_A     0.341     0    0.079   0.094     0.939  100.000   95.238
LGA    E    48_A      E    48_A     0.219     0    0.026   0.241     1.262  100.000   96.878
LGA    N    49_A      N    49_A     0.382     0    0.050   0.090     1.115  100.000   94.107
LGA    A    50_A      A    50_A     0.116     0    0.069   0.067     0.495  100.000  100.000
LGA    S    51_A      S    51_A     0.473     0    0.063   0.061     0.705   95.238   93.651
LGA    F    52_A      F    52_A     0.703     0    0.039   0.813     2.768   90.476   83.463
LGA    G    53_A      G    53_A     0.914     0    0.103   0.103     0.914   90.476   90.476
LGA    L    54_A      L    54_A     0.581     0    0.156   0.979     2.480   92.857   84.048
LGA    T    55_A      T    55_A     0.134     0    0.013   1.160     2.622  100.000   88.844
LGA    N    56_A      N    56_A     0.290     0    0.082   0.205     0.875   97.619   96.429
LGA    C    57_A      C    57_A     0.282     0    0.028   0.044     0.399  100.000  100.000
LGA    A    58_A      A    58_A     0.270     0    0.032   0.036     0.295  100.000  100.000
LGA    E    59_A      E    59_A     0.332     0    0.023   0.556     1.542  100.000   96.984
LGA    R    60_A      R    60_A     0.339     0    0.026   0.269     1.000  100.000   96.537
LGA    T    61_A      T    61_A     0.262     0    0.032   0.099     0.468  100.000  100.000
LGA    A    62_A      A    62_A     0.381     0    0.025   0.041     0.455  100.000  100.000
LGA    F    63_A      F    63_A     0.598     0    0.017   0.133     1.652   92.857   86.494
LGA    F    64_A      F    64_A     0.547     0    0.042   0.292     0.939   92.857   95.671
LGA    K    65_A      K    65_A     0.304     0    0.045   0.987     2.110  100.000   87.989
LGA    A    66_A      A    66_A     0.308     0    0.028   0.036     0.345  100.000  100.000
LGA    V    67_A      V    67_A     0.373     0    0.041   0.165     0.620   97.619   97.279
LGA    S    68_A      S    68_A     0.355     0    0.102   0.135     0.685   97.619   96.825
LGA    E    69_A      E    69_A     0.466     0    0.178   0.816     2.461   97.619   82.222
LGA    G    70_A      G    70_A     0.557     0    0.062   0.062     0.935   90.476   90.476
LGA    E    71_A      E    71_A     1.101     0    0.096   0.505     1.995   81.548   79.577
LGA    R    72_A      R    72_A     0.902     0    0.122   1.256     6.238   85.952   62.771
LGA    S    73_A      S    73_A     0.595     0    0.097   0.103     0.759   90.476   90.476
LGA    F    74_A      F    74_A     0.772     0    0.093   0.137     0.959   90.476   90.476
LGA    T    75_A      T    75_A     0.630     0    0.122   0.157     1.165   92.857   89.252
LGA    H    76_A      H    76_A     0.470     0    0.034   1.223     4.622   92.857   76.714
LGA    L    77_A      L    77_A     0.416     0    0.027   0.079     0.502   97.619   98.810
LGA    V    78_A      V    78_A     0.340     0    0.034   0.075     0.413  100.000  100.000
LGA    V    79_A      V    79_A     0.417     0    0.029   0.133     0.598  100.000   97.279
LGA    A    80_A      A    80_A     0.306     0    0.031   0.039     0.477  100.000  100.000
LGA    G    81_A      G    81_A     0.455     0    0.030   0.030     0.922   95.238   95.238
LGA    H    82_A      H    82_A     0.899     0    0.038   1.022     2.462   85.952   77.381
LGA    T    83_A      T    83_A     1.358     0    0.070   0.124     1.521   79.286   80.204
LGA    P    84_A      P    84_A     2.076     0    0.083   0.126     2.653   72.976   67.279
LGA    D    85_A      D    85_A     0.791     0    0.118   0.168     1.500   92.976   89.464
LGA    P    86_A      P    86_A     0.425     0    0.095   0.094     0.667   97.619   97.279
LGA    I    87_A      I    87_A     0.277     0    0.030   1.231     3.745  100.000   85.119
LGA    S    88_A      S    88_A     0.240     0    0.053   0.562     1.643  100.000   93.889
LGA    P    89_A      P    89_A     0.253     0    0.050   0.161     0.331  100.000  100.000
LGA    C    90_A      C    90_A     0.320     0    0.060   0.606     2.259  100.000   94.127
LGA    G    91_A      G    91_A     0.522     0    0.053   0.053     0.522   95.238   95.238
LGA    A    92_A      A    92_A     0.458     0    0.031   0.040     0.475  100.000  100.000
LGA    C    93_A      C    93_A     0.504     0    0.020   0.115     0.979   92.857   92.063
LGA    R    94_A      R    94_A     0.500     0    0.051   1.011     3.937   95.238   86.407
LGA    Q    95_A      Q    95_A     0.692     0    0.058   0.625     2.606   90.476   80.899
LGA    V    96_A      V    96_A     0.718     0    0.027   0.921     2.591   90.476   84.422
LGA    M    97_A      M    97_A     0.594     0    0.022   0.374     1.995   90.476   89.464
LGA    A    98_A      A    98_A     0.771     0    0.052   0.052     0.917   90.476   90.476
LGA    E    99_A      E    99_A     0.730     0    0.070   0.644     2.144   90.476   85.608
LGA    F   100_A      F   100_A     1.325     0    0.078   0.294     1.926   83.690   76.797
LGA    C   101_A      C   101_A     1.134     0    0.022   0.057     1.217   81.429   84.444
LGA    A   102_A      A   102_A     1.334     0    0.066   0.069     1.627   81.429   79.714
LGA    P   103_A      P   103_A     1.310     0    0.108   0.118     1.551   77.143   78.980
LGA    D   104_A      D   104_A     2.319     0    0.191   1.185     3.451   72.976   67.083
LGA    M   105_A      M   105_A     1.232     0    0.042   1.253     5.425   83.810   72.560
LGA    P   106_A      P   106_A     0.666     0    0.040   0.300     0.909   92.857   95.918
LGA    V   107_A      V   107_A     0.286     0    0.025   0.063     0.328  100.000  100.000
LGA    T   108_A      T   108_A     0.242     0    0.020   0.058     0.516  100.000   98.639
LGA    L   109_A      L   109_A     0.111     0    0.016   0.063     0.597  100.000   98.810
LGA    V   110_A      V   110_A     0.751     0    0.125   1.027     3.103   97.619   84.966
LGA    G   111_A      G   111_A     0.677     0    0.051   0.051     1.140   88.333   88.333
LGA    D   112_A      D   112_A     1.716     0    0.658   1.187     3.417   69.286   63.274
LGA    N   113_A      N   113_A     2.064     0    0.288   0.956     6.892   77.381   54.464
LGA    G   114_A      G   114_A     1.198     0    0.080   0.080     1.499   81.429   81.429
LGA    V   115_A      V   115_A     1.083     0    0.035   1.180     3.495   85.952   75.034
LGA    T   116_A      T   116_A     0.661     0    0.079   0.144     0.962   90.476   90.476
LGA    K   117_A      K   117_A     0.479     0    0.031   0.348     1.557  100.000   90.741
LGA    A   118_A      A   118_A     0.778     0    0.051   0.056     1.259   90.476   88.667
LGA    T   119_A      T   119_A     0.708     0    0.112   1.053     2.887   88.214   81.837
LGA    T   120_A      T   120_A     1.033     0    0.020   1.110     2.774   85.952   78.367
LGA    V   121_A      V   121_A     0.733     0    0.041   0.135     1.010   90.476   90.544
LGA    R   122_A      R   122_A     0.754     0    0.046   0.954     3.623   90.476   75.974
LGA    E   123_A      E   123_A     0.786     0    0.021   0.440     1.604   90.476   88.519
LGA    L   124_A      L   124_A     0.916     0    0.067   0.177     1.661   90.476   86.012
LGA    L   125_A      L   125_A     0.406     0    0.112   0.936     3.142  100.000   89.167
LGA    P   126_A      P   126_A     0.582     0    0.033   0.132     1.538   97.619   89.456
LGA    Y   127_A      Y   127_A     0.505     0    0.045   1.384     8.570   95.238   58.571
LGA    A   128_A      A   128_A     0.853     0    0.067   0.071     1.271   90.476   88.667
LGA    F   129_A      F   129_A     0.897     0    0.062   0.167     1.755   90.476   83.203
LGA    T   130_A      T   130_A     0.899     0    0.032   1.116     2.908   90.476   81.905
LGA    E   131_A      E   131_A     0.779     0    0.174   0.791     2.750   88.214   82.751
LGA    K   132_A      K   132_A     1.008     0    0.079   0.795     4.187   77.381   65.873
LGA    D   133_A      D   133_A     3.379     0    0.200   1.028     5.143   50.119   43.810
LGA    L   134_A      L   134_A     3.197     0    0.093   1.044     5.158   46.667   50.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      133     532    532  100.00    1010   1010  100.00               133
SUMMARY(RMSD_GDC):     1.233          1.230                  1.715           90.723   85.480

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  134  133    4.0    132    0.98    94.549    97.223    12.182

LGA_LOCAL      RMSD:   0.984  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.238  Number of assigned atoms:  133 
Std_ASGN_ATOMS RMSD:   1.233  Standard rmsd on all 133 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.189412 * X  +  -0.876153 * Y  +   0.443259 * Z  +   6.362367
  Y_new =   0.313798 * X  +  -0.481771 * Y  +  -0.818185 * Z  + 105.154823
  Z_new =   0.930405 * X  +  -0.015880 * Y  +   0.366188 * Z  + -44.279629 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.113867 -1.195517 -0.043339   [DEG:  121.1156  -68.4981   -2.4831 ]
ZXZ:  0.496494  1.195887  1.587863   [DEG:   28.4470   68.5193   90.9778 ]
 
# END of job
