
#######################################################
#                                                     #
#                        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  136 ( 1106),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , 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:   132       3_A - 134_A       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110       3_A - 112_A       1.00     1.19
  LCS_AVERAGE:     72.21

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A    110  132  132     22   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V     4_A     V     4_A    110  132  132     22   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D     5_A     D     5_A    110  132  132     22   80  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     6_A     K     6_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R     7_A     R     7_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     8_A     K     8_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I     9_A     I     9_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    10_A     K    10_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    11_A     I    11_A    110  132  132     26   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    12_A     I    12_A    110  132  132     26   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    13_A     L    13_A    110  132  132     26   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    14_A     N    14_A    110  132  132     26   66  121  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    15_A     G    15_A    110  132  132     26   66  121  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    16_A     E    16_A    110  132  132     26   83  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    17_A     M    17_A    110  132  132     26   83  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    18_A     E    18_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    19_A     E    19_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    20_A     A    20_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    21_A     E    21_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    22_A     L    22_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    23_A     H    23_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    24_A     M    24_A    110  132  132     24   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    25_A     I    25_A    110  132  132     22   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    26_A     T    26_A    110  132  132     22   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    27_A     S    27_A    110  132  132     20   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    28_A     P    28_A    110  132  132     16   74  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    29_A     N    29_A    110  132  132     14   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    30_A     R    30_A    110  132  132     21   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    31_A     H    31_A    110  132  132     20   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    32_A     C    32_A    110  132  132     22   74  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    33_A     C    33_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    34_A     L    34_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    35_A     K    35_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    36_A     I    36_A    110  132  132     24   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    37_A     F    37_A    110  132  132     24   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    38_A     H    38_A    110  132  132     22   75  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    39_A     N    39_A    110  132  132      8   53  107  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    40_A     N    40_A    110  132  132     26   74  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    41_A     N    41_A    110  132  132     22   78  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    42_A     Q    42_A    110  132  132     11   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    43_A     L    43_A    110  132  132     23   78  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    44_A     A    44_A    110  132  132     23   80  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    45_A     E    45_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    46_A     S    46_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    47_A     N    47_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    48_A     D    48_A    110  132  132     22   84  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    49_A     T    49_A    110  132  132     20   67  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    50_A     D    50_A    110  132  132     20   57  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    51_A     Y    51_A    110  132  132     20   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A    110  132  132     20   67  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    53_A     S    53_A    110  132  132     23   67  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    54_A     C    54_A    110  132  132     28   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    55_A     F    55_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    56_A     A    56_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    57_A     D    57_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    58_A     L    58_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    59_A     R    59_A    110  132  132     18   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    60_A     N    60_A    110  132  132     10   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    61_A     Q    61_A    110  132  132     12   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    62_A     L    62_A    110  132  132     10   76  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    63_A     K    63_A    110  132  132     13   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    64_A     N    64_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    65_A     I    65_A    110  132  132     26   66  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    66_A     I    66_A    110  132  132     26   65  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    67_A     F    67_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    68_A     L    68_A    110  132  132     26   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    69_A     C    69_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    70_A     K    70_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    71_A     G    71_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    72_A     A    72_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    73_A     K    73_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    74_A     I    74_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    75_A     N    75_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    76_A     V    76_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    77_A     Y    77_A    110  132  132     23   83  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    78_A     P    78_A    110  132  132     23   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    79_A     S    79_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    80_A     A    80_A    110  132  132     23   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    81_A     M    81_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    82_A     S    82_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    83_A     R    83_A    110  132  132      8   84  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    84_A     D    84_A    110  132  132      8   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    85_A     M    85_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    86_A     S    86_A    110  132  132      8   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    87_A     D    87_A    110  132  132      7   74  118  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    88_A     G    88_A    110  132  132     24   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    89_A     I    89_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    90_A     V    90_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    91_A     A    91_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    92_A     Y    92_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    93_A     E    93_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    94_A     T    94_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    95_A     T    95_A    110  132  132     18   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    96_A     L    96_A    110  132  132      4   27  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    97_A     G    97_A    110  132  132     23   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    98_A     Q    98_A    110  132  132     16   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    99_A     P    99_A    110  132  132      8   54  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   100_A     G   100_A    110  132  132      5   84  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   101_A     L   101_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   102_A     P   102_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   103_A     E   103_A    110  132  132     26   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N   104_A     N   104_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   105_A     Q   105_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   106_A     V   106_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   107_A     H   107_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   108_A     I   108_A    110  132  132     32   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   109_A     F   109_A    110  132  132     27   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   110_A     D   110_A    110  132  132     12   83  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   111_A     F   111_A    110  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   112_A     E   112_A    110  132  132      3   84  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   113_A     D   113_A     64  132  132      5   16   27   95  128  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   114_A     K   114_A     49  132  132      3   24   57  110  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y   115_A     Y   115_A      7  132  132      3    6    8   15   22   50   93  119  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   116_A     V   116_A     19  132  132      5   48  116  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   117_A     D   117_A     19  132  132     25   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   118_A     I   118_A     19  132  132     17   83  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   119_A     T   119_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   120_A     P   120_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   121_A     E   121_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   122_A     E   122_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   123_A     Q   123_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R   124_A     R   124_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   125_A     K   125_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   126_A     F   126_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   127_A     H   127_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   128_A     S   128_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   129_A     Q   129_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     W   130_A     W   130_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   131_A     F   131_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   132_A     E   132_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   133_A     S   133_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   134_A     L   134_A     19  132  132     34   85  124  129  130  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_AVERAGE  LCS_A:  90.74  (  72.21  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     34     85    124    129    130    131    131    131    131    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  25.76  64.39  93.94  97.73  98.48  99.24  99.24  99.24  99.24 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.69   0.93   0.98   1.02   1.06   1.06   1.06   1.06   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19
GDT RMS_ALL_AT   1.50   1.22   1.20   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  F   126_A      F   126_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.370     3    0.066   0.076     1.504   81.429   49.821
LGA    V     4_A      V     4_A     1.188     0    0.064   0.104     1.337   83.690   82.721
LGA    D     5_A      D     5_A     1.092     0    0.101   0.393     2.191   85.952   79.464
LGA    K     6_A      K     6_A     0.404     0    0.069   0.100     1.478   97.619   91.640
LGA    R     7_A      R     7_A     0.379     0    0.080   1.124     7.914   97.619   61.342
LGA    K     8_A      K     8_A     0.615     0    0.042   0.805     4.757   95.238   74.444
LGA    I     9_A      I     9_A     0.458     0    0.045   0.082     0.958  100.000   95.238
LGA    K    10_A      K    10_A     0.575     0    0.017   0.105     0.873   90.476   92.593
LGA    I    11_A      I    11_A     0.864     0    0.042   0.088     1.095   88.214   88.214
LGA    I    12_A      I    12_A     1.205     0    0.118   0.647     2.112   79.286   77.202
LGA    L    13_A      L    13_A     1.334     0    0.060   0.948     3.328   81.429   72.500
LGA    N    14_A      N    14_A     1.668     0    0.060   0.227     2.396   72.857   69.821
LGA    G    15_A      G    15_A     1.755     0    0.021   0.021     1.755   72.857   72.857
LGA    E    16_A      E    16_A     1.219     0    0.074   0.842     4.024   81.429   68.836
LGA    M    17_A      M    17_A     1.137     0    0.014   0.647     1.565   85.952   84.881
LGA    E    18_A      E    18_A     0.786     0    0.036   0.741     3.850   90.476   75.291
LGA    E    19_A      E    19_A     0.226     0    0.054   0.646     3.410  100.000   81.005
LGA    A    20_A      A    20_A     0.541     0    0.059   0.090     0.557   95.238   94.286
LGA    E    21_A      E    21_A     0.470     0    0.059   0.679     1.819   97.619   88.730
LGA    L    22_A      L    22_A     0.317     0    0.076   1.370     3.002   92.976   80.298
LGA    H    23_A      H    23_A     0.425     0    0.033   0.085     0.935  100.000   95.238
LGA    M    24_A      M    24_A     0.804     0    0.068   1.036     5.167   90.476   71.429
LGA    I    25_A      I    25_A     1.198     0    0.076   0.120     1.422   81.429   81.429
LGA    T    26_A      T    26_A     1.273     0    0.031   0.069     1.651   81.429   77.755
LGA    S    27_A      S    27_A     1.355     0    0.027   0.792     4.716   81.429   70.317
LGA    P    28_A      P    28_A     1.448     0    0.674   0.582     4.098   68.214   73.878
LGA    N    29_A      N    29_A     0.748     0    0.131   1.116     3.161   88.214   79.821
LGA    R    30_A      R    30_A     0.868     0    0.080   0.928     6.521   90.476   66.667
LGA    H    31_A      H    31_A     1.335     0    0.103   1.196     7.113   83.690   54.810
LGA    C    32_A      C    32_A     1.287     0    0.054   0.878     4.381   83.690   74.127
LGA    C    33_A      C    33_A     0.807     0    0.019   0.037     0.947   90.476   90.476
LGA    L    34_A      L    34_A     0.666     0    0.035   1.348     2.920   90.476   81.964
LGA    K    35_A      K    35_A     0.433     0    0.050   0.614     1.427   95.238   93.704
LGA    I    36_A      I    36_A     0.553     0    0.019   1.202     2.955   90.476   81.905
LGA    F    37_A      F    37_A     0.649     0    0.033   0.123     0.938   90.476   94.805
LGA    H    38_A      H    38_A     1.427     0    0.051   1.129     3.408   77.143   68.381
LGA    N    39_A      N    39_A     2.224     0    0.010   1.116     5.185   68.810   61.250
LGA    N    40_A      N    40_A     1.337     0    0.053   1.053     3.144   81.548   74.405
LGA    N    41_A      N    41_A     1.353     0    0.038   0.978     5.675   81.429   61.071
LGA    Q    42_A      Q    42_A     1.187     0    0.090   0.472     2.035   77.262   77.725
LGA    L    43_A      L    43_A     1.393     0    0.069   1.347     3.860   79.286   74.524
LGA    A    44_A      A    44_A     1.355     0    0.050   0.055     1.632   85.952   83.333
LGA    E    45_A      E    45_A     1.009     0    0.067   0.213     1.279   81.429   82.434
LGA    S    46_A      S    46_A     1.080     0    0.038   0.063     1.496   85.952   84.444
LGA    N    47_A      N    47_A     1.039     0    0.046   0.111     1.174   81.429   85.952
LGA    D    48_A      D    48_A     1.166     0    0.047   0.133     1.483   81.429   81.429
LGA    T    49_A      T    49_A     1.512     0    0.013   0.063     1.877   75.000   74.082
LGA    D    50_A      D    50_A     1.569     0    0.104   1.018     2.638   79.286   80.893
LGA    Y    51_A      Y    51_A     0.934     0    0.122   1.474     9.323   83.690   49.127
LGA    F    52_A      F    52_A     1.242     0    0.014   0.236     2.431   81.429   73.030
LGA    S    53_A      S    53_A     1.253     0    0.015   0.053     1.697   81.429   80.000
LGA    C    54_A      C    54_A     0.908     0    0.019   0.039     1.040   88.214   88.968
LGA    F    55_A      F    55_A     0.629     0    0.044   0.453     2.236   90.476   81.732
LGA    A    56_A      A    56_A     0.727     0    0.017   0.025     0.743   90.476   90.476
LGA    D    57_A      D    57_A     0.717     0    0.023   0.430     1.534   90.476   86.012
LGA    L    58_A      L    58_A     0.731     0    0.026   1.273     2.627   90.476   81.964
LGA    R    59_A      R    59_A     1.047     0    0.016   0.945     3.420   83.690   79.437
LGA    N    60_A      N    60_A     0.938     0    0.023   0.838     2.936   88.214   79.762
LGA    Q    61_A      Q    61_A     1.122     0    0.111   0.805     4.452   81.429   68.095
LGA    L    62_A      L    62_A     1.241     0    0.092   0.843     2.878   81.429   79.524
LGA    K    63_A      K    63_A     1.005     0    0.023   0.603     3.843   85.952   78.307
LGA    N    64_A      N    64_A     0.686     0    0.027   1.161     4.470   85.952   72.679
LGA    I    65_A      I    65_A     1.549     0    0.022   1.037     3.715   77.143   67.381
LGA    I    66_A      I    66_A     1.544     0    0.038   0.468     3.261   77.143   72.143
LGA    F    67_A      F    67_A     0.874     0    0.105   0.117     2.303   88.214   78.528
LGA    L    68_A      L    68_A     0.647     0    0.214   0.281     1.708   86.071   87.143
LGA    C    69_A      C    69_A     0.381     0    0.063   0.790     2.680  100.000   91.270
LGA    K    70_A      K    70_A     0.357     0    0.010   0.053     0.648  100.000   94.709
LGA    G    71_A      G    71_A     0.357     0    0.045   0.045     0.616   97.619   97.619
LGA    A    72_A      A    72_A     0.362     0    0.040   0.040     0.536  100.000   98.095
LGA    K    73_A      K    73_A     0.332     0    0.009   0.098     1.198  100.000   94.762
LGA    I    74_A      I    74_A     0.629     0    0.048   0.387     1.609   92.857   90.655
LGA    N    75_A      N    75_A     0.722     0    0.061   1.126     3.705   92.857   79.405
LGA    V    76_A      V    76_A     0.466     0    0.067   0.073     0.575   92.857   94.558
LGA    Y    77_A      Y    77_A     1.070     0    0.164   0.730     7.232   88.214   52.937
LGA    P    78_A      P    78_A     0.699     0    0.170   0.344     1.610   86.190   84.150
LGA    S    79_A      S    79_A     0.927     0    0.046   0.081     0.992   90.476   90.476
LGA    A    80_A      A    80_A     1.238     0    0.034   0.037     1.432   81.429   81.429
LGA    M    81_A      M    81_A     0.886     0    0.021   1.217     4.202   90.476   75.536
LGA    S    82_A      S    82_A     0.983     0    0.012   0.673     1.648   85.952   83.016
LGA    R    83_A      R    83_A     1.173     0    0.106   1.337     3.289   81.429   73.420
LGA    D    84_A      D    84_A     1.192     0    0.124   0.757     2.526   81.429   75.238
LGA    M    85_A      M    85_A     0.652     0    0.043   0.940     3.717   90.476   83.750
LGA    S    86_A      S    86_A     0.802     0    0.687   0.952     3.158   84.048   79.444
LGA    D    87_A      D    87_A     1.747     0    0.083   0.262     2.863   75.119   69.048
LGA    G    88_A      G    88_A     0.948     0    0.079   0.079     1.204   88.214   88.214
LGA    I    89_A      I    89_A     0.876     0    0.053   0.157     0.988   90.476   90.476
LGA    V    90_A      V    90_A     0.803     0    0.044   0.093     1.213   90.476   89.184
LGA    A    91_A      A    91_A     0.698     0    0.065   0.104     0.836   90.476   90.476
LGA    Y    92_A      Y    92_A     0.550     0    0.024   0.091     0.910   90.476   90.476
LGA    E    93_A      E    93_A     0.512     0    0.045   0.774     2.468   90.476   82.804
LGA    T    94_A      T    94_A     0.637     0    0.086   0.099     1.103   95.238   91.905
LGA    T    95_A      T    95_A     0.923     0    0.084   1.020     3.493   88.333   80.884
LGA    L    96_A      L    96_A     1.606     0    0.123   1.412     6.580   77.143   57.440
LGA    G    97_A      G    97_A     0.614     0    0.081   0.081     0.742   90.476   90.476
LGA    Q    98_A      Q    98_A     0.785     0    0.033   1.202     4.513   85.952   75.185
LGA    P    99_A      P    99_A     1.333     0    0.026   0.035     1.407   81.429   81.429
LGA    G   100_A      G   100_A     1.166     0    0.032   0.032     1.364   85.952   85.952
LGA    L   101_A      L   101_A     0.401     0    0.057   0.169     1.342   97.619   94.107
LGA    P   102_A      P   102_A     0.286     0    0.027   0.034     0.699   97.619   98.639
LGA    E   103_A      E   103_A     0.800     0    0.029   0.977     3.196   90.476   80.053
LGA    N   104_A      N   104_A     0.567     0    0.071   0.143     0.765   92.857   91.667
LGA    Q   105_A      Q   105_A     0.788     0    0.070   0.155     0.980   90.476   90.476
LGA    V   106_A      V   106_A     0.908     0    0.017   0.066     0.988   90.476   90.476
LGA    H   107_A      H   107_A     0.826     0    0.060   1.072     5.676   90.476   63.762
LGA    I   108_A      I   108_A     0.656     0    0.064   1.442     3.603   90.476   77.321
LGA    F   109_A      F   109_A     0.908     0    0.048   1.341     8.701   88.214   50.433
LGA    D   110_A      D   110_A     1.042     0    0.076   0.194     1.722   88.214   82.679
LGA    F   111_A      F   111_A     0.386     0    0.049   0.125     1.466   92.976   88.918
LGA    E   112_A      E   112_A     1.107     0    0.060   0.564     2.344   77.381   79.735
LGA    D   113_A      D   113_A     3.397     0    0.178   1.006     4.537   52.024   46.190
LGA    K   114_A      K   114_A     3.198     0    0.019   1.236     6.946   45.357   44.233
LGA    Y   115_A      Y   115_A     6.290     0    0.461   1.444    14.960   24.048    8.413
LGA    V   116_A      V   116_A     1.833     0    0.433   0.903     3.101   73.690   74.694
LGA    D   117_A      D   117_A     0.594     0    0.022   0.159     1.452   92.857   87.143
LGA    I   118_A      I   118_A     1.059     0    0.124   1.626     3.716   90.595   75.179
LGA    T   119_A      T   119_A     0.556     0    0.036   0.069     1.128   95.238   91.905
LGA    P   120_A      P   120_A     0.429     0    0.021   0.033     0.712  100.000   95.918
LGA    E   121_A      E   121_A     0.683     0    0.054   0.949     5.116   92.857   71.905
LGA    E   122_A      E   122_A     0.614     0    0.028   0.273     0.953   92.857   92.593
LGA    Q   123_A      Q   123_A     0.312     0    0.015   0.285     0.856  100.000   97.884
LGA    R   124_A      R   124_A     0.161     0    0.011   1.239     3.834  100.000   86.580
LGA    K   125_A      K   125_A     0.364     0    0.017   1.258     5.543   95.238   74.021
LGA    F   126_A      F   126_A     0.775     0    0.004   0.225     2.061   90.476   80.952
LGA    H   127_A      H   127_A     0.841     0    0.026   1.561     5.122   90.476   66.952
LGA    S   128_A      S   128_A     0.585     0    0.029   0.107     0.768   90.476   93.651
LGA    Q   129_A      Q   129_A     0.800     0    0.014   0.226     1.991   88.214   84.550
LGA    W   130_A      W   130_A     1.093     0    0.057   0.122     1.625   83.690   80.238
LGA    F   131_A      F   131_A     0.968     0    0.074   0.130     1.641   90.476   84.805
LGA    E   132_A      E   132_A     0.938     0    0.080   0.971     3.388   85.952   76.614
LGA    S   133_A      S   133_A     1.004     0    0.016   0.057     1.224   83.690   85.952
LGA    L   134_A      L   134_A     1.215     0    0.155   0.222     1.838   77.143   81.548

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):     1.187          1.187                  2.165           86.542   79.609

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  136  132    4.0    131    1.06    90.341    96.312    11.294

LGA_LOCAL      RMSD:   1.060  Number of atoms:  131  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.189  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   1.187  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.892340 * X  +  -0.288404 * Y  +  -0.347207 * Z  + -34.824448
  Y_new =  -0.328700 * X  +  -0.942398 * Y  +  -0.061984 * Z  +  16.399393
  Z_new =  -0.309331 * X  +   0.169437 * Y  +  -0.935738 * Z  +   8.353608 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.352934  0.314489  2.962460   [DEG:  -20.2216   18.0189  169.7365 ]
ZXZ: -1.394137  2.781142 -1.069679   [DEG:  -79.8781  159.3477  -61.2881 ]
 
# END of job
