
#######################################################
#                                                     #
#                        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       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   133       2_A - 134_A       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.93     1.09
  LCS_AVERAGE:     99.24

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    131  133  133      3    3    3    3    3    5    7  112  128  131  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     M     3_A     M     3_A    132  133  133      4   83  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A     4_A     A     4_A    132  133  133      4   31  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E     5_A     E     5_A    132  133  133     29   87  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L     6_A     L     6_A    132  133  133      4  109  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     K     7_A     K     7_A    132  133  133     57  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Q     8_A     Q     8_A    132  133  133     57  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E     9_A     E     9_A    132  133  133     57  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     W    10_A     W    10_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     I    11_A     I    11_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     N    12_A     N    12_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T    13_A     T    13_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    14_A     A    14_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     I    15_A     I    15_A    132  133  133     70  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    16_A     E    16_A    132  133  133     55  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    17_A     A    17_A    132  133  133      4   86  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L    18_A     L    18_A    132  133  133      9   86  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     D    19_A     D    19_A    132  133  133      8   99  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     K    20_A     K    20_A    132  133  133     33  110  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    21_A     A    21_A    132  133  133     74  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Y    22_A     Y    22_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    23_A     V    23_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P    24_A     P    24_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Y    25_A     Y    25_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     S    26_A     S    26_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     H    27_A     H    27_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F    28_A     F    28_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P    29_A     P    29_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    30_A     V    30_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    31_A     G    31_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    32_A     A    32_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     C    33_A     C    33_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L    34_A     L    34_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    35_A     V    35_A    132  133  133     75  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T    36_A     T    36_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    37_A     E    37_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     S    38_A     S    38_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    39_A     G    39_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     K    40_A     K    40_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     I    41_A     I    41_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Y    42_A     Y    42_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Q    43_A     Q    43_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    44_A     G    44_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     I    45_A     I    45_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     N    46_A     N    46_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     I    47_A     I    47_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    48_A     E    48_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     N    49_A     N    49_A    132  133  133     34  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    50_A     A    50_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     S    51_A     S    51_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F    52_A     F    52_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    53_A     G    53_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L    54_A     L    54_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T    55_A     T    55_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     N    56_A     N    56_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     C    57_A     C    57_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    58_A     A    58_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    59_A     E    59_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     R    60_A     R    60_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T    61_A     T    61_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    62_A     A    62_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F    63_A     F    63_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F    64_A     F    64_A    132  133  133     70  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     K    65_A     K    65_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    66_A     A    66_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    67_A     V    67_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     S    68_A     S    68_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    69_A     E    69_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    70_A     G    70_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    71_A     E    71_A    132  133  133     51  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     R    72_A     R    72_A    132  133  133     46  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     S    73_A     S    73_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F    74_A     F    74_A    132  133  133     72  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T    75_A     T    75_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     H    76_A     H    76_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L    77_A     L    77_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    78_A     V    78_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    79_A     V    79_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    80_A     A    80_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    81_A     G    81_A    132  133  133     75  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     H    82_A     H    82_A    132  133  133     51  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T    83_A     T    83_A    132  133  133     28  103  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P    84_A     P    84_A    132  133  133     13   46  118  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     D    85_A     D    85_A    132  133  133     51  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P    86_A     P    86_A    132  133  133     75  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     I    87_A     I    87_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     S    88_A     S    88_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P    89_A     P    89_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     C    90_A     C    90_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G    91_A     G    91_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    92_A     A    92_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     C    93_A     C    93_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     R    94_A     R    94_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Q    95_A     Q    95_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V    96_A     V    96_A    132  133  133     70  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     M    97_A     M    97_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A    98_A     A    98_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E    99_A     E    99_A    132  133  133     74  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F   100_A     F   100_A    132  133  133     26  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     C   101_A     C   101_A    132  133  133     10  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A   102_A     A   102_A    132  133  133     30  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P   103_A     P   103_A    132  133  133     29  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     D   104_A     D   104_A    132  133  133      5   54  116  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     M   105_A     M   105_A    132  133  133     30  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P   106_A     P   106_A    132  133  133     30  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V   107_A     V   107_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T   108_A     T   108_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L   109_A     L   109_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V   110_A     V   110_A    132  133  133     53  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G   111_A     G   111_A    132  133  133     61  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     D   112_A     D   112_A    132  133  133      3   26  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     N   113_A     N   113_A    132  133  133      3   70  120  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     G   114_A     G   114_A    132  133  133     36  111  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V   115_A     V   115_A    132  133  133     43  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T   116_A     T   116_A    132  133  133     61  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     K   117_A     K   117_A    132  133  133     75  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A   118_A     A   118_A    132  133  133     45  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T   119_A     T   119_A    132  133  133     61  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T   120_A     T   120_A    132  133  133     27  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     V   121_A     V   121_A    132  133  133     51  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     R   122_A     R   122_A    132  133  133     59  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E   123_A     E   123_A    132  133  133     51  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L   124_A     L   124_A    132  133  133     46  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L   125_A     L   125_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     P   126_A     P   126_A    132  133  133     64  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     Y   127_A     Y   127_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     A   128_A     A   128_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     F   129_A     F   129_A    132  133  133     68  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     T   130_A     T   130_A    132  133  133     66  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     E   131_A     E   131_A    132  133  133     66  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     K   132_A     K   132_A    132  133  133     76  112  124  130  130  130  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     D   133_A     D   133_A    132  133  133      3    3    4   95  126  129  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_GDT     L   134_A     L   134_A    132  133  133      3    3    5   59  110  129  132  132  132  132  133  133  133  133  133  133  133  133  133  133 
LCS_AVERAGE  LCS_A:  99.75  (  99.24  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     76    112    124    130    130    130    132    132    132    132    133    133    133    133    133    133    133    133    133    133 
GDT PERCENT_AT  57.14  84.21  93.23  97.74  97.74  97.74  99.25  99.25  99.25  99.25 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.50   0.63   0.75   0.75   0.75   0.93   0.93   0.93   0.93   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08
GDT RMS_ALL_AT   1.11   1.10   1.09   1.10   1.10   1.10   1.09   1.09   1.09   1.09   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08

# Checking swapping
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  E    99_A      E    99_A
#   possible swapping detected:  F   100_A      F   100_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     2_A      S     2_A     6.566     0    0.090   0.142     8.162   24.643   18.413
LGA    M     3_A      M     3_A     1.688     0    0.650   1.169     8.447   71.071   45.119
LGA    A     4_A      A     4_A     1.845     0    0.066   0.066     2.575   77.143   73.143
LGA    E     5_A      E     5_A     1.567     0    0.045   0.590     6.471   77.143   52.169
LGA    L     6_A      L     6_A     1.192     0    0.069   0.264     2.162   83.690   78.333
LGA    K     7_A      K     7_A     0.870     0    0.042   0.804     2.348   90.476   83.757
LGA    Q     8_A      Q     8_A     0.850     0    0.049   1.465     5.622   90.476   67.937
LGA    E     9_A      E     9_A     0.814     0    0.034   0.946     5.150   90.476   73.333
LGA    W    10_A      W    10_A     0.479     0    0.052   0.133     0.783   97.619   97.279
LGA    I    11_A      I    11_A     0.193     0    0.025   0.631     2.316  100.000   95.595
LGA    N    12_A      N    12_A     0.194     0    0.025   0.918     3.341  100.000   85.952
LGA    T    13_A      T    13_A     0.420     0    0.023   1.162     2.945   97.619   87.483
LGA    A    14_A      A    14_A     0.287     0    0.032   0.037     0.584   97.619   98.095
LGA    I    15_A      I    15_A     0.517     0    0.019   0.917     2.800   92.857   81.071
LGA    E    16_A      E    16_A     0.817     0    0.049   0.642     2.051   88.214   85.608
LGA    A    17_A      A    17_A     1.399     0    0.102   0.097     1.639   77.143   78.000
LGA    L    18_A      L    18_A     1.526     0    0.032   1.424     3.252   75.000   70.179
LGA    D    19_A      D    19_A     1.213     0    0.051   1.240     5.934   81.429   63.631
LGA    K    20_A      K    20_A     1.038     0    0.088   0.712     4.323   85.952   72.646
LGA    A    21_A      A    21_A     0.346     0    0.038   0.052     0.685   97.619   98.095
LGA    Y    22_A      Y    22_A     0.348     0    0.062   0.089     1.470  100.000   91.429
LGA    V    23_A      V    23_A     0.269     0    0.086   0.942     2.304   97.619   88.571
LGA    P    24_A      P    24_A     0.567     0    0.115   0.175     1.290   90.595   90.544
LGA    Y    25_A      Y    25_A     0.509     0    0.035   0.288     1.091   92.857   89.762
LGA    S    26_A      S    26_A     0.518     0    0.022   0.046     0.539   92.857   95.238
LGA    H    27_A      H    27_A     0.400     0    0.042   0.486     2.351  100.000   87.381
LGA    F    28_A      F    28_A     0.373     0    0.070   0.067     1.126   97.619   92.294
LGA    P    29_A      P    29_A     0.458     0    0.020   0.405     1.576  100.000   94.762
LGA    V    30_A      V    30_A     0.443     0    0.021   0.071     0.657  100.000   95.918
LGA    G    31_A      G    31_A     0.282     0    0.039   0.039     0.335  100.000  100.000
LGA    A    32_A      A    32_A     0.185     0    0.021   0.029     0.343  100.000  100.000
LGA    C    33_A      C    33_A     0.311     0    0.089   0.096     0.719  100.000   96.825
LGA    L    34_A      L    34_A     0.482     0    0.010   0.095     1.074   95.238   91.726
LGA    V    35_A      V    35_A     0.631     0    0.029   0.125     0.846   90.476   90.476
LGA    T    36_A      T    36_A     0.450     0    0.078   0.084     0.569   95.238   95.918
LGA    E    37_A      E    37_A     0.574     0    0.078   0.237     2.009   90.595   83.704
LGA    S    38_A      S    38_A     0.691     0    0.094   0.570     2.379   88.214   84.683
LGA    G    39_A      G    39_A     0.694     0    0.070   0.070     0.694   90.476   90.476
LGA    K    40_A      K    40_A     0.573     0    0.029   0.536     2.497   90.476   89.735
LGA    I    41_A      I    41_A     0.488     0    0.046   0.336     0.902   95.238   94.048
LGA    Y    42_A      Y    42_A     0.295     0    0.027   0.064     0.382  100.000  100.000
LGA    Q    43_A      Q    43_A     0.055     0    0.095   0.632     2.004  100.000   89.947
LGA    G    44_A      G    44_A     0.291     0    0.049   0.049     0.313  100.000  100.000
LGA    I    45_A      I    45_A     0.037     0    0.017   1.660     4.436  100.000   81.429
LGA    N    46_A      N    46_A     0.116     0    0.038   0.301     1.398  100.000   95.298
LGA    I    47_A      I    47_A     0.253     0    0.078   0.122     0.612  100.000   98.810
LGA    E    48_A      E    48_A     0.228     0    0.031   0.659     1.690   95.238   89.683
LGA    N    49_A      N    49_A     1.011     0    0.102   0.945     2.888   88.214   79.643
LGA    A    50_A      A    50_A     0.370     0    0.056   0.055     0.487  100.000  100.000
LGA    S    51_A      S    51_A     0.358     0    0.039   0.054     0.640   97.619   95.238
LGA    F    52_A      F    52_A     0.284     0    0.022   0.818     2.317  100.000   85.325
LGA    G    53_A      G    53_A     0.411     0    0.093   0.093     0.989   95.238   95.238
LGA    L    54_A      L    54_A     0.402     0    0.137   0.150     1.138   97.619   91.786
LGA    T    55_A      T    55_A     0.398     0    0.054   1.188     2.712  100.000   88.639
LGA    N    56_A      N    56_A     0.310     0    0.084   0.096     0.660   97.619   97.619
LGA    C    57_A      C    57_A     0.190     0    0.017   0.038     0.262  100.000  100.000
LGA    A    58_A      A    58_A     0.162     0    0.030   0.036     0.190  100.000  100.000
LGA    E    59_A      E    59_A     0.242     0    0.021   0.558     1.535  100.000   93.862
LGA    R    60_A      R    60_A     0.254     0    0.030   0.342     0.918  100.000   97.403
LGA    T    61_A      T    61_A     0.215     0    0.032   0.108     0.418  100.000  100.000
LGA    A    62_A      A    62_A     0.269     0    0.024   0.038     0.322  100.000  100.000
LGA    F    63_A      F    63_A     0.517     0    0.023   0.159     1.500   92.857   87.273
LGA    F    64_A      F    64_A     0.531     0    0.039   0.384     0.870   92.857   93.939
LGA    K    65_A      K    65_A     0.363     0    0.031   0.965     2.367   97.619   85.979
LGA    A    66_A      A    66_A     0.294     0    0.021   0.033     0.366  100.000  100.000
LGA    V    67_A      V    67_A     0.383     0    0.049   0.154     0.705   97.619   97.279
LGA    S    68_A      S    68_A     0.330     0    0.097   0.112     0.616   97.619   98.413
LGA    E    69_A      E    69_A     0.417     0    0.172   0.395     0.884   97.619   93.651
LGA    G    70_A      G    70_A     0.569     0    0.062   0.062     1.075   88.214   88.214
LGA    E    71_A      E    71_A     1.002     0    0.084   0.622     2.155   81.548   76.772
LGA    R    72_A      R    72_A     0.798     0    0.123   0.285     1.458   88.214   89.654
LGA    S    73_A      S    73_A     0.513     0    0.087   0.708     2.811   95.238   88.095
LGA    F    74_A      F    74_A     0.615     0    0.069   0.167     0.772   90.476   92.208
LGA    T    75_A      T    75_A     0.433     0    0.050   0.067     0.838   97.619   94.558
LGA    H    76_A      H    76_A     0.278     0    0.018   1.151     2.675   97.619   87.571
LGA    L    77_A      L    77_A     0.363     0    0.011   0.066     0.408  100.000  100.000
LGA    V    78_A      V    78_A     0.223     0    0.035   0.083     0.378  100.000  100.000
LGA    V    79_A      V    79_A     0.384     0    0.042   0.122     0.746  100.000   97.279
LGA    A    80_A      A    80_A     0.326     0    0.032   0.035     0.429  100.000  100.000
LGA    G    81_A      G    81_A     0.488     0    0.043   0.043     1.065   92.976   92.976
LGA    H    82_A      H    82_A     0.858     0    0.035   1.036     2.330   85.952   80.857
LGA    T    83_A      T    83_A     1.468     0    0.078   1.220     3.646   77.143   71.156
LGA    P    84_A      P    84_A     2.383     0    0.724   0.670     4.939   54.524   60.136
LGA    D    85_A      D    85_A     0.939     0    0.017   0.340     1.844   92.857   86.071
LGA    P    86_A      P    86_A     0.639     0    0.080   0.089     0.849   90.476   90.476
LGA    I    87_A      I    87_A     0.421     0    0.037   1.331     3.415  100.000   84.940
LGA    S    88_A      S    88_A     0.340     0    0.072   0.091     0.710  100.000   96.825
LGA    P    89_A      P    89_A     0.257     0    0.051   0.256     0.696  100.000   98.639
LGA    C    90_A      C    90_A     0.252     0    0.055   0.585     2.124  100.000   94.127
LGA    G    91_A      G    91_A     0.300     0    0.055   0.055     0.300  100.000  100.000
LGA    A    92_A      A    92_A     0.310     0    0.031   0.039     0.340  100.000  100.000
LGA    C    93_A      C    93_A     0.339     0    0.025   0.103     0.751  100.000   98.413
LGA    R    94_A      R    94_A     0.369     0    0.054   0.600     1.374  100.000   93.160
LGA    Q    95_A      Q    95_A     0.465     0    0.064   1.145     3.814  100.000   84.709
LGA    V    96_A      V    96_A     0.559     0    0.042   0.112     0.786   92.857   93.197
LGA    M    97_A      M    97_A     0.486     0    0.028   0.710     2.290  100.000   94.405
LGA    A    98_A      A    98_A     0.505     0    0.054   0.054     0.634   95.238   96.190
LGA    E    99_A      E    99_A     0.531     0    0.061   1.004     2.826   95.238   81.217
LGA    F   100_A      F   100_A     1.097     0    0.082   0.393     1.272   83.690   86.407
LGA    C   101_A      C   101_A     0.980     0    0.028   0.038     1.033   88.214   88.968
LGA    A   102_A      A   102_A     1.221     0    0.054   0.056     1.528   81.429   79.714
LGA    P   103_A      P   103_A     1.160     0    0.103   0.416     2.005   81.429   79.048
LGA    D   104_A      D   104_A     2.211     0    0.168   1.085     3.302   72.976   69.048
LGA    M   105_A      M   105_A     1.135     0    0.061   0.572     1.946   85.952   80.476
LGA    P   106_A      P   106_A     0.717     0    0.041   0.281     0.923   90.476   93.197
LGA    V   107_A      V   107_A     0.425     0    0.030   0.080     0.446  100.000  100.000
LGA    T   108_A      T   108_A     0.321     0    0.020   0.061     0.385  100.000  100.000
LGA    L   109_A      L   109_A     0.295     0    0.027   0.059     0.697   97.619   97.619
LGA    V   110_A      V   110_A     0.791     0    0.115   0.153     2.034   97.619   87.075
LGA    G   111_A      G   111_A     0.552     0    0.050   0.050     1.137   90.595   90.595
LGA    D   112_A      D   112_A     1.681     0    0.651   1.245     3.197   69.286   73.512
LGA    N   113_A      N   113_A     2.165     0    0.256   1.140     7.209   72.976   48.810
LGA    G   114_A      G   114_A     1.338     0    0.069   0.069     1.665   79.286   79.286
LGA    V   115_A      V   115_A     1.226     0    0.036   1.176     3.566   85.952   74.082
LGA    T   116_A      T   116_A     0.717     0    0.089   0.160     1.027   88.214   89.184
LGA    K   117_A      K   117_A     0.646     0    0.043   0.665     1.898   92.857   89.577
LGA    A   118_A      A   118_A     0.853     0    0.046   0.050     1.206   90.476   88.667
LGA    T   119_A      T   119_A     0.749     0    0.120   1.040     2.512   88.214   80.612
LGA    T   120_A      T   120_A     0.963     0    0.030   1.132     2.826   88.214   79.660
LGA    V   121_A      V   121_A     0.608     0    0.041   0.094     0.750   90.476   94.558
LGA    R   122_A      R   122_A     0.746     0    0.039   1.533     9.201   90.476   55.065
LGA    E   123_A      E   123_A     0.818     0    0.036   0.530     1.812   90.476   88.519
LGA    L   124_A      L   124_A     0.822     0    0.066   0.150     1.557   90.476   86.012
LGA    L   125_A      L   125_A     0.289     0    0.084   0.083     1.231  100.000   94.167
LGA    P   126_A      P   126_A     0.596     0    0.046   0.108     1.490   97.619   90.680
LGA    Y   127_A      Y   127_A     0.309     0    0.054   0.142     1.794  100.000   90.714
LGA    A   128_A      A   128_A     0.677     0    0.056   0.058     0.911   90.476   90.476
LGA    F   129_A      F   129_A     0.756     0    0.061   0.094     1.095   90.476   88.831
LGA    T   130_A      T   130_A     0.765     0    0.067   0.124     1.134   90.476   89.184
LGA    E   131_A      E   131_A     0.866     0    0.205   0.874     6.467   88.214   65.661
LGA    K   132_A      K   132_A     0.463     0    0.300   0.835     9.033   82.500   53.598
LGA    D   133_A      D   133_A     3.892     0    0.227   0.865     5.420   42.857   39.286
LGA    L   134_A      L   134_A     4.681     0    0.353   1.054     6.706   33.333   33.155

# 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):     1.085          1.090                  1.668           91.511   86.564

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  134  133    4.0    132    0.93    95.301    97.652    12.820

LGA_LOCAL      RMSD:   0.930  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.087  Number of assigned atoms:  133 
Std_ASGN_ATOMS RMSD:   1.085  Standard rmsd on all 133 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.202640 * X  +  -0.884122 * Y  +   0.421028 * Z  +   8.300157
  Y_new =   0.354278 * X  +  -0.467014 * Y  +  -0.810176 * Z  + 103.372475
  Z_new =   0.912921 * X  +  -0.015012 * Y  +   0.407861 * Z  + -46.708992 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.090357 -1.150384 -0.036791   [DEG:  119.7686  -65.9121   -2.1080 ]
ZXZ:  0.479264  1.150686  1.587239   [DEG:   27.4598   65.9295   90.9421 ]
 
# END of job
