
#######################################################
#                                                     #
#                        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       1.26     1.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       1.26     1.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       3_A - 80_A        1.00     1.41
  LCS_AVERAGE:     51.08

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     78  132  132     23   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V     4_A     V     4_A     78  132  132     23   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D     5_A     D     5_A     78  132  132     25   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     6_A     K     6_A     78  132  132     29   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R     7_A     R     7_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     8_A     K     8_A     78  132  132     31   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I     9_A     I     9_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    10_A     K    10_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    11_A     I    11_A     78  132  132     19   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    12_A     I    12_A     78  132  132     19   66  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    13_A     L    13_A     78  132  132     19   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    14_A     N    14_A     78  132  132      6   57  109  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    15_A     G    15_A     78  132  132     19   57  109  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    16_A     E    16_A     78  132  132     19   75  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    17_A     M    17_A     78  132  132     19   57  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    18_A     E    18_A     78  132  132     19   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    19_A     E    19_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    20_A     A    20_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    21_A     E    21_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    22_A     L    22_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    23_A     H    23_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    24_A     M    24_A     78  132  132     20   75  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    25_A     I    25_A     78  132  132     20   61  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    26_A     T    26_A     78  132  132     23   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    27_A     S    27_A     78  132  132     23   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    28_A     P    28_A     78  132  132     13   66  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    29_A     N    29_A     78  132  132     30   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    30_A     R    30_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    31_A     H    31_A     78  132  132     20   61  117  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    32_A     C    32_A     78  132  132     20   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    33_A     C    33_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    34_A     L    34_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    35_A     K    35_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    36_A     I    36_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    37_A     F    37_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    38_A     H    38_A     78  132  132     20   71  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    39_A     N    39_A     78  132  132     13   49  103  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    40_A     N    40_A     78  132  132     20   67  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    41_A     N    41_A     78  132  132     20   71  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    42_A     Q    42_A     78  132  132     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    43_A     L    43_A     78  132  132     23   73  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    44_A     A    44_A     78  132  132     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    45_A     E    45_A     78  132  132     22   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    46_A     S    46_A     78  132  132     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    47_A     N    47_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    48_A     D    48_A     78  132  132     25   73  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    49_A     T    49_A     78  132  132     23   57  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    50_A     D    50_A     78  132  132     23   54  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    51_A     Y    51_A     78  132  132     25   72  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A     78  132  132     25   57  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    53_A     S    53_A     78  132  132     25   61  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    54_A     C    54_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    55_A     F    55_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    56_A     A    56_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    57_A     D    57_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    58_A     L    58_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    59_A     R    59_A     78  132  132     16   75  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    60_A     N    60_A     78  132  132     11   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    61_A     Q    61_A     78  132  132     10   75  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    62_A     L    62_A     78  132  132     10   50  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    63_A     K    63_A     78  132  132     10   75  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    64_A     N    64_A     78  132  132     26   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    65_A     I    65_A     78  132  132     19   57  111  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    66_A     I    66_A     78  132  132     19   57   93  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    67_A     F    67_A     78  132  132     19   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    68_A     L    68_A     78  132  132     25   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    69_A     C    69_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    70_A     K    70_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    71_A     G    71_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    72_A     A    72_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    73_A     K    73_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    74_A     I    74_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    75_A     N    75_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    76_A     V    76_A     78  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    77_A     Y    77_A     78  132  132     19   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    78_A     P    78_A     78  132  132     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    79_A     S    79_A     78  132  132     21   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    80_A     A    80_A     78  132  132     13   74  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    81_A     M    81_A     74  132  132     15   74  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    82_A     S    82_A     74  132  132     15   74  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    83_A     R    83_A     74  132  132     22   74  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    84_A     D    84_A     74  132  132     21   74  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    85_A     M    85_A     74  132  132     17   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    86_A     S    86_A     74  132  132     31   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    87_A     D    87_A     74  132  132     24   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    88_A     G    88_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    89_A     I    89_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    90_A     V    90_A     74  132  132     22   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    91_A     A    91_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    92_A     Y    92_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    93_A     E    93_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    94_A     T    94_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    95_A     T    95_A     74  132  132     20   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    96_A     L    96_A     74  132  132      3   30   75  127  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    97_A     G    97_A     74  132  132     14   71  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    98_A     Q    98_A     74  132  132     20   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    99_A     P    99_A     74  132  132      6   66  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   100_A     G   100_A     74  132  132      6   74  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   101_A     L   101_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   102_A     P   102_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   103_A     E   103_A     74  132  132     19   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N   104_A     N   104_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   105_A     Q   105_A     74  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   106_A     V   106_A     74  132  132     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   107_A     H   107_A     72  132  132     22   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   108_A     I   108_A     72  132  132     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   109_A     F   109_A     72  132  132     22   73  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   110_A     D   110_A     72  132  132     17   73  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   111_A     F   111_A     72  132  132     33   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   112_A     E   112_A     72  132  132      3   68  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   113_A     D   113_A     48  132  132      3   16   29   83  115  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   114_A     K   114_A     47  132  132      3   25   63  105  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y   115_A     Y   115_A      4  132  132      3    5    7    9   18   46   92  108  130  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   116_A     V   116_A     19  132  132      3   46  100  128  129  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     26   76  119  128  129  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     18   65  119  128  129  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     33   76  119  128  129  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     33   76  119  128  129  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     27   76  119  128  129  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     33   76  119  128  129  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     31   76  119  128  129  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     26   76  119  128  129  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     33   76  119  128  129  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     22   76  119  128  129  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     22   76  119  128  129  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     26   76  119  128  129  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     23   76  119  128  129  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     22   68  119  128  129  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     22   74  119  128  129  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     22   76  119  128  129  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     11   76  119  128  129  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     23   76  119  128  129  131  131  131  131  132  132  132  132  132  132  132  132  132  132  132 
LCS_AVERAGE  LCS_A:  83.69  (  51.08  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     33     76    119    128    129    131    131    131    131    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  25.00  57.58  90.15  96.97  97.73  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    0.38   0.69   0.96   1.04   1.06   1.14   1.14   1.14   1.14   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26
GDT RMS_ALL_AT   1.33   1.31   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26   1.26

# 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:  F   109_A      F   109_A
#   possible swapping detected:  D   113_A      D   113_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     1.415     3    0.061   0.077     1.524   79.286   48.750
LGA    V     4_A      V     4_A     1.280     0    0.064   0.108     1.450   81.429   81.429
LGA    D     5_A      D     5_A     1.227     0    0.136   0.376     2.101   83.690   78.333
LGA    K     6_A      K     6_A     0.437     0    0.062   1.206     5.538   97.619   76.825
LGA    R     7_A      R     7_A     0.390     0    0.081   1.177     7.318  100.000   65.411
LGA    K     8_A      K     8_A     0.626     0    0.038   0.809     4.686   95.238   75.291
LGA    I     9_A      I     9_A     0.383     0    0.049   0.099     0.898  100.000   97.619
LGA    K    10_A      K    10_A     0.536     0    0.015   0.084     0.656   92.857   94.709
LGA    I    11_A      I    11_A     0.891     0    0.018   0.074     1.039   85.952   88.214
LGA    I    12_A      I    12_A     1.306     0    0.097   0.114     1.836   79.286   79.286
LGA    L    13_A      L    13_A     1.329     0    0.068   0.959     3.286   81.429   72.500
LGA    N    14_A      N    14_A     1.767     0    0.060   0.219     2.619   72.857   67.917
LGA    G    15_A      G    15_A     1.891     0    0.016   0.016     1.891   72.857   72.857
LGA    E    16_A      E    16_A     1.238     0    0.067   0.844     3.346   81.429   72.751
LGA    M    17_A      M    17_A     1.318     0    0.015   1.068     2.380   83.690   78.452
LGA    E    18_A      E    18_A     0.682     0    0.030   0.745     3.659   90.476   77.037
LGA    E    19_A      E    19_A     0.247     0    0.044   0.637     3.364  100.000   81.005
LGA    A    20_A      A    20_A     0.453     0    0.054   0.086     0.482  100.000  100.000
LGA    E    21_A      E    21_A     0.430     0    0.068   0.592     1.873   97.619   88.677
LGA    L    22_A      L    22_A     0.360     0    0.068   1.348     3.162   92.976   81.250
LGA    H    23_A      H    23_A     0.724     0    0.032   0.936     2.460   92.857   84.429
LGA    M    24_A      M    24_A     1.054     0    0.075   1.063     5.430   83.690   68.036
LGA    I    25_A      I    25_A     1.461     0    0.076   0.118     1.647   77.143   78.214
LGA    T    26_A      T    26_A     1.430     0    0.037   0.089     1.911   81.429   77.755
LGA    S    27_A      S    27_A     1.483     0    0.032   0.747     4.754   81.429   70.317
LGA    P    28_A      P    28_A     1.328     0    0.655   0.577     4.111   68.214   75.170
LGA    N    29_A      N    29_A     0.643     0    0.144   1.117     3.274   88.214   79.821
LGA    R    30_A      R    30_A     0.923     0    0.078   0.936     6.668   88.214   62.597
LGA    H    31_A      H    31_A     1.639     0    0.155   1.212     7.436   79.286   50.143
LGA    C    32_A      C    32_A     1.400     0    0.060   0.872     4.377   83.690   74.127
LGA    C    33_A      C    33_A     0.861     0    0.024   0.041     1.034   88.214   88.968
LGA    L    34_A      L    34_A     0.626     0    0.041   1.346     3.010   92.857   82.262
LGA    K    35_A      K    35_A     0.281     0    0.085   0.615     1.390   97.619   94.762
LGA    I    36_A      I    36_A     0.363     0    0.024   0.057     0.437  100.000  100.000
LGA    F    37_A      F    37_A     0.457     0    0.040   0.090     0.702   95.238   95.671
LGA    H    38_A      H    38_A     1.248     0    0.046   1.128     3.221   79.405   71.667
LGA    N    39_A      N    39_A     2.121     0    0.010   1.115     5.015   68.810   63.274
LGA    N    40_A      N    40_A     1.400     0    0.057   1.050     3.193   79.286   73.214
LGA    N    41_A      N    41_A     1.280     0    0.027   0.972     5.517   81.429   61.845
LGA    Q    42_A      Q    42_A     1.007     0    0.099   0.186     1.797   79.286   85.503
LGA    L    43_A      L    43_A     1.224     0    0.083   1.339     3.713   81.429   76.667
LGA    A    44_A      A    44_A     1.054     0    0.051   0.051     1.175   85.952   85.048
LGA    E    45_A      E    45_A     0.824     0    0.079   0.228     1.137   90.476   89.471
LGA    S    46_A      S    46_A     0.987     0    0.037   0.060     1.448   90.476   87.460
LGA    N    47_A      N    47_A     0.948     0    0.046   0.112     1.134   85.952   89.405
LGA    D    48_A      D    48_A     1.187     0    0.042   0.138     1.531   81.429   80.357
LGA    T    49_A      T    49_A     1.573     0    0.014   0.063     1.885   75.000   74.082
LGA    D    50_A      D    50_A     1.713     0    0.115   1.022     2.427   77.143   78.571
LGA    Y    51_A      Y    51_A     1.100     0    0.118   1.498     9.658   81.429   46.746
LGA    F    52_A      F    52_A     1.358     0    0.014   0.142     2.246   81.429   73.766
LGA    S    53_A      S    53_A     1.360     0    0.012   0.053     1.840   81.429   78.571
LGA    C    54_A      C    54_A     0.949     0    0.010   0.032     1.109   88.214   88.968
LGA    F    55_A      F    55_A     0.666     0    0.049   0.434     2.089   90.476   84.113
LGA    A    56_A      A    56_A     0.833     0    0.018   0.026     0.862   90.476   90.476
LGA    D    57_A      D    57_A     0.760     0    0.027   0.477     1.520   90.476   86.012
LGA    L    58_A      L    58_A     0.809     0    0.022   1.285     2.940   90.476   83.095
LGA    R    59_A      R    59_A     1.085     0    0.018   0.926     3.075   83.690   81.039
LGA    N    60_A      N    60_A     0.974     0    0.033   0.861     2.797   85.952   80.714
LGA    Q    61_A      Q    61_A     1.158     0    0.127   0.276     1.640   79.286   86.614
LGA    L    62_A      L    62_A     1.460     0    0.099   0.914     3.346   81.429   76.488
LGA    K    63_A      K    63_A     1.131     0    0.038   0.604     4.083   85.952   74.762
LGA    N    64_A      N    64_A     0.855     0    0.025   0.419     1.623   85.952   86.012
LGA    I    65_A      I    65_A     1.674     0    0.028   1.058     3.807   75.000   66.310
LGA    I    66_A      I    66_A     1.782     0    0.021   0.075     2.284   77.143   72.976
LGA    F    67_A      F    67_A     0.912     0    0.103   0.110     2.644   88.214   74.892
LGA    L    68_A      L    68_A     0.684     0    0.242   0.308     1.881   86.071   87.143
LGA    C    69_A      C    69_A     0.431     0    0.074   0.800     2.563  100.000   91.270
LGA    K    70_A      K    70_A     0.377     0    0.013   0.072     0.709  100.000   95.767
LGA    G    71_A      G    71_A     0.386     0    0.060   0.060     0.702   95.238   95.238
LGA    A    72_A      A    72_A     0.524     0    0.012   0.013     0.645   97.619   96.190
LGA    K    73_A      K    73_A     0.416     0    0.009   0.099     1.143  100.000   93.704
LGA    I    74_A      I    74_A     0.641     0    0.044   0.390     1.736   90.595   88.333
LGA    N    75_A      N    75_A     0.863     0    0.072   1.119     3.536   90.476   78.036
LGA    V    76_A      V    76_A     0.452     0    0.050   0.059     0.562   92.857   95.918
LGA    Y    77_A      Y    77_A     0.986     0    0.214   0.940     5.495   90.476   60.238
LGA    P    78_A      P    78_A     0.870     0    0.069   0.130     1.865   88.214   82.857
LGA    S    79_A      S    79_A     0.999     0    0.036   0.051     1.046   85.952   87.460
LGA    A    80_A      A    80_A     1.318     0    0.032   0.037     1.515   81.429   79.714
LGA    M    81_A      M    81_A     1.346     0    0.023   1.252     5.126   81.429   65.238
LGA    S    82_A      S    82_A     1.179     0    0.017   0.670     1.651   81.429   80.000
LGA    R    83_A      R    83_A     1.197     0    0.027   1.035     2.576   81.429   77.662
LGA    D    84_A      D    84_A     1.287     0    0.094   0.822     2.967   81.429   75.238
LGA    M    85_A      M    85_A     1.024     0    0.047   0.933     5.079   85.952   74.286
LGA    S    86_A      S    86_A     0.632     0    0.043   0.678     2.934   90.476   84.921
LGA    D    87_A      D    87_A     0.965     0    0.066   0.337     2.390   90.476   80.714
LGA    G    88_A      G    88_A     0.661     0    0.072   0.072     0.772   90.476   90.476
LGA    I    89_A      I    89_A     0.688     0    0.044   0.157     0.918   90.476   92.857
LGA    V    90_A      V    90_A     0.997     0    0.047   0.082     1.512   90.476   85.374
LGA    A    91_A      A    91_A     0.767     0    0.074   0.120     0.857   90.476   90.476
LGA    Y    92_A      Y    92_A     0.500     0    0.018   0.114     1.028   92.857   90.516
LGA    E    93_A      E    93_A     0.449     0    0.018   0.778     2.518   92.857   83.016
LGA    T    94_A      T    94_A     0.607     0    0.043   0.059     1.258   95.238   91.905
LGA    T    95_A      T    95_A     0.802     0    0.535   0.980     2.852   82.262   77.143
LGA    L    96_A      L    96_A     2.299     0    0.634   1.408     7.215   63.452   47.798
LGA    G    97_A      G    97_A     1.234     0    0.049   0.049     1.251   81.429   81.429
LGA    Q    98_A      Q    98_A     0.797     0    0.020   1.193     4.901   85.952   73.386
LGA    P    99_A      P    99_A     1.354     0    0.026   0.027     1.422   81.429   81.429
LGA    G   100_A      G   100_A     1.139     0    0.026   0.026     1.348   85.952   85.952
LGA    L   101_A      L   101_A     0.209     0    0.065   0.174     1.084   97.619   96.488
LGA    P   102_A      P   102_A     0.204     0    0.029   0.035     0.676   97.619   98.639
LGA    E   103_A      E   103_A     0.808     0    0.023   0.979     3.090   92.857   80.212
LGA    N   104_A      N   104_A     0.558     0    0.099   0.179     0.735   92.857   91.667
LGA    Q   105_A      Q   105_A     0.730     0    0.053   0.143     1.007   90.476   89.471
LGA    V   106_A      V   106_A     0.958     0    0.026   0.087     1.049   85.952   87.891
LGA    H   107_A      H   107_A     1.102     0    0.044   0.161     1.270   85.952   83.238
LGA    I   108_A      I   108_A     0.890     0    0.071   1.504     3.807   85.952   73.810
LGA    F   109_A      F   109_A     1.193     0    0.020   0.727     3.562   81.429   69.784
LGA    D   110_A      D   110_A     1.242     0    0.067   0.165     1.950   85.952   80.476
LGA    F   111_A      F   111_A     0.645     0    0.049   0.120     1.781   83.810   83.983
LGA    E   112_A      E   112_A     1.278     0    0.053   0.559     2.738   73.452   77.037
LGA    D   113_A      D   113_A     3.821     0    0.190   1.023     4.986   45.238   39.762
LGA    K   114_A      K   114_A     3.274     0    0.035   1.230     6.912   43.571   45.079
LGA    Y   115_A      Y   115_A     6.381     0    0.531   1.187    15.728   24.048    8.254
LGA    V   116_A      V   116_A     2.113     0    0.631   0.919     3.228   63.095   66.190
LGA    D   117_A      D   117_A     0.375     0    0.229   1.234     3.715   88.452   80.238
LGA    I   118_A      I   118_A     1.268     0    0.104   1.664     3.827   88.214   73.988
LGA    T   119_A      T   119_A     0.772     0    0.021   0.071     1.304   90.476   86.599
LGA    P   120_A      P   120_A     0.326     0    0.024   0.038     0.646  100.000   95.918
LGA    E   121_A      E   121_A     0.655     0    0.048   0.946     5.209   92.857   71.905
LGA    E   122_A      E   122_A     0.740     0    0.030   0.257     1.235   90.476   87.460
LGA    Q   123_A      Q   123_A     0.620     0    0.011   0.547     1.575   90.476   86.508
LGA    R   124_A      R   124_A     0.416     0    0.015   1.236     3.634   97.619   85.714
LGA    K   125_A      K   125_A     0.495     0    0.016   1.264     5.544   95.238   74.021
LGA    F   126_A      F   126_A     1.048     0    0.006   0.139     2.074   83.690   77.619
LGA    H   127_A      H   127_A     1.158     0    0.032   1.583     5.073   81.429   61.905
LGA    S   128_A      S   128_A     0.831     0    0.028   0.109     1.010   88.214   90.556
LGA    Q   129_A      Q   129_A     1.067     0    0.011   0.200     2.309   83.690   78.677
LGA    W   130_A      W   130_A     1.510     0    0.047   0.192     1.947   79.286   74.694
LGA    F   131_A      F   131_A     1.310     0    0.095   0.126     2.014   83.690   79.177
LGA    E   132_A      E   132_A     1.280     0    0.094   0.980     3.346   79.286   71.640
LGA    S   133_A      S   133_A     1.248     0    0.134   0.731     2.539   79.286   75.952
LGA    L   134_A      L   134_A     1.071     0    0.145   0.228     1.782   81.548   84.881

# 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):     1.263          1.276                  2.164           85.444   79.241

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  136  132    4.0    131    1.14    88.447    95.388    10.553

LGA_LOCAL      RMSD:   1.141  Number of atoms:  131  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.265  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   1.263  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.647097 * X  +   0.498497 * Y  +  -0.576859 * Z  + -37.366459
  Y_new =   0.586956 * X  +   0.157145 * Y  +   0.794222 * Z  +  11.258812
  Z_new =   0.486568 * X  +  -0.852529 * Y  +  -0.190908 * Z  +   5.920687 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.736702 -0.508157 -1.791094   [DEG:   42.2099  -29.1152 -102.6221 ]
ZXZ: -2.513420  1.762884  2.622970   [DEG: -144.0084  101.0058  150.2851 ]
 
# END of job
