
#######################################################
#                                                     #
#                        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  140 ( 1050),  selected  127 , name one
# Molecule2: number of CA atoms  127 (  962),  selected  127 , 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:   127      23_A - 149_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98      23_A - 120_A       0.88     1.41
  LONGEST_CONTINUOUS_SEGMENT:    98      24_A - 121_A       0.93     1.39
  LCS_AVERAGE:     63.82

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     E    23_A     E    23_A     98  127  127      3    4   14   77  116  121  122  123  125  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     98  127  127     21   84  112  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     98  127  127     77  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     98  127  127     79  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     98  127  127     81  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     98  127  127     75  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     98  127  127      4  101  112  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A     98  127  127      3    4   23  110  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A     98  127  127      3   33  101  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     98  127  127     42  102  112  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     98  127  127     81  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     98  127  127     66  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A     98  127  127     31  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A     98  127  127     40  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     98  127  127     81  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     98  127  127      3   26  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     98  127  127      6   80  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     98  127  127     26   91  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     98  127  127     49  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     98  127  127     32  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     98  127  127     70  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     98  127  127     79  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     98  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     98  127  127     47  103  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     98  127  127     25  102  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A     98  127  127      3    3    4    5  118  120  121  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A     98  127  127      3    3    4    7   14   37  111  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      4  127  127      3    3   10   29   81  101  114  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      4  127  127      4   12   18   53   81  116  121  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      4  127  127      4    4    4   16   61  105  120  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A      4  127  127      4    4    6   12   39  119  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A     24  127  127      5  102  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A     24  127  127      3    4   73  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     24  127  127     79  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     24  127  127     18   79  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     24  127  127     46  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     24  127  127     75  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     24  127  127     70  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     24  127  127     27  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     24  127  127     81  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     24  127  127     82  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     24  127  127     78  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     24  127  127     82  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     24  127  127     83  105  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     24  127  127     12  101  113  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     24  127  127      3   36   79  117  119  121  122  125  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  87.94  (  63.82  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     83    105    113    117    119    121    122    125    126    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  65.35  82.68  88.98  92.13  93.70  95.28  96.06  98.43  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.42   0.56   0.65   0.72   0.86   0.92   1.21   1.32   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.40   1.41   1.42   1.41   1.40   1.40   1.40   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  F    56_A      F    56_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  Y   113_A      Y   113_A
#   possible swapping detected:  D   126_A      D   126_A
#   possible swapping detected:  F   128_A      F   128_A
#   possible swapping detected:  Y   135_A      Y   135_A
#   possible swapping detected:  E   136_A      E   136_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     4.472     0    0.163   0.900     6.598   42.143   34.921
LGA    V    24_A      V    24_A     1.733     0    0.104   0.152     2.775   73.214   68.503
LGA    Q    25_A      Q    25_A     0.504     0    0.049   0.950     4.166   95.238   76.720
LGA    L    26_A      L    26_A     0.088     0    0.045   0.483     1.194  100.000   95.357
LGA    V    27_A      V    27_A     0.073     0    0.058   0.103     0.479  100.000  100.000
LGA    E    28_A      E    28_A     0.337     0    0.108   0.151     0.489  100.000  100.000
LGA    S    29_A      S    29_A     0.170     0    0.030   0.114     0.465  100.000  100.000
LGA    G    30_A      G    30_A     0.101     0    0.038   0.038     0.251  100.000  100.000
LGA    G    31_A      G    31_A     0.201     0    0.029   0.029     0.240  100.000  100.000
LGA    G    32_A      G    32_A     0.509     0    0.048   0.048     0.509   97.619   97.619
LGA    S    33_A      S    33_A     0.158     0    0.024   0.608     2.494   97.619   92.540
LGA    V    34_A      V    34_A     0.621     0    0.041   0.241     1.097   92.857   90.544
LGA    Q    35_A      Q    35_A     0.570     0    0.044   0.569     3.148   92.857   79.365
LGA    A    36_A      A    36_A     0.073     0    0.070   0.071     0.427  100.000  100.000
LGA    G    37_A      G    37_A     0.527     0    0.028   0.028     0.604   92.857   92.857
LGA    G    38_A      G    38_A     0.491     0    0.062   0.062     0.590   95.238   95.238
LGA    S    39_A      S    39_A     0.657     0    0.022   0.119     0.777   90.476   90.476
LGA    L    40_A      L    40_A     0.480     0    0.035   1.290     2.846   97.619   85.536
LGA    R    41_A      R    41_A     0.113     0    0.017   0.765     2.514  100.000   94.372
LGA    L    42_A      L    42_A     0.197     0    0.034   0.073     0.222  100.000  100.000
LGA    S    43_A      S    43_A     0.240     0    0.018   0.494     1.652  100.000   95.476
LGA    C    44_A      C    44_A     0.337     0    0.028   0.062     0.566  100.000   98.413
LGA    A    45_A      A    45_A     0.374     0    0.031   0.054     0.415  100.000  100.000
LGA    A    46_A      A    46_A     0.662     0    0.042   0.055     1.420   88.214   88.667
LGA    S    47_A      S    47_A     0.961     0    0.104   0.156     1.494   85.952   84.444
LGA    A    48_A      A    48_A     1.542     0    0.038   0.059     1.974   75.000   76.286
LGA    F    49_A      F    49_A     2.933     0    0.089   1.170    10.499   64.881   32.251
LGA    G    50_A      G    50_A     2.265     0    0.094   0.094     2.665   69.048   69.048
LGA    N    51_A      N    51_A     1.447     0    0.054   0.106     3.067   83.810   73.452
LGA    Y    52_A      Y    52_A     0.662     0    0.033   1.237     9.141   92.976   57.976
LGA    M    53_A      M    53_A     0.248     0    0.058   0.213     1.482  100.000   94.167
LGA    G    54_A      G    54_A     0.425     0    0.025   0.025     0.425  100.000  100.000
LGA    W    55_A      W    55_A     0.269     0    0.032   0.089     0.494  100.000  100.000
LGA    F    56_A      F    56_A     0.265     0    0.040   0.120     0.368  100.000  100.000
LGA    R    57_A      R    57_A     0.300     0    0.022   0.124     0.685  100.000   99.134
LGA    Q    58_A      Q    58_A     0.145     0    0.037   0.109     0.527  100.000   98.942
LGA    A    59_A      A    59_A     0.712     0    0.053   0.077     0.767   92.857   92.381
LGA    P    60_A      P    60_A     1.054     0    0.051   0.123     1.344   88.214   85.306
LGA    G    61_A      G    61_A     0.948     0    0.098   0.098     1.088   88.214   88.214
LGA    K    62_A      K    62_A     0.486     2    0.032   0.523     1.320   97.619   73.598
LGA    E    63_A      E    63_A     0.506     0    0.051   0.670     2.798   95.238   86.878
LGA    R    64_A      R    64_A     0.433     0    0.087   1.158     3.058   97.619   84.545
LGA    E    65_A      E    65_A     0.426     0    0.069   0.536     2.028  100.000   89.841
LGA    G    66_A      G    66_A     0.362     0    0.038   0.038     0.641   97.619   97.619
LGA    V    67_A      V    67_A     0.236     0    0.042   0.284     1.045  100.000   97.347
LGA    A    68_A      A    68_A     0.336     0    0.057   0.078     0.490  100.000  100.000
LGA    A    69_A      A    69_A     0.264     0    0.038   0.073     0.626  100.000   98.095
LGA    I    70_A      I    70_A     0.200     0    0.088   0.120     0.314  100.000  100.000
LGA    R    71_A      R    71_A     0.368     0    0.079   1.318     6.490   97.619   66.970
LGA    T    72_A      T    72_A     1.612     0    0.080   1.226     5.261   77.262   65.306
LGA    G    73_A      G    73_A     1.743     0    0.594   0.594     2.325   75.119   75.119
LGA    G    74_A      G    74_A     1.764     0    0.169   0.169     2.246   72.976   72.976
LGA    G    75_A      G    75_A     0.802     0    0.049   0.049     0.982   90.476   90.476
LGA    S    76_A      S    76_A     0.470     0    0.058   0.580     2.145   97.619   90.952
LGA    T    77_A      T    77_A     0.321     0    0.046   0.070     0.407  100.000  100.000
LGA    Y    78_A      Y    78_A     0.173     0    0.036   1.319    10.008  100.000   56.389
LGA    Y    79_A      Y    79_A     0.168     0    0.046   0.052     0.360  100.000  100.000
LGA    T    80_A      T    80_A     0.125     0    0.046   0.946     2.236  100.000   89.932
LGA    D    81_A      D    81_A     0.420     0    0.066   0.339     1.340   92.976   91.786
LGA    S    82_A      S    82_A     1.020     0    0.088   0.109     1.337   88.214   85.952
LGA    V    83_A      V    83_A     0.570     0    0.036   0.112     0.752   90.476   93.197
LGA    K    84_A      K    84_A     0.803     0    0.045   0.610     1.948   90.476   88.571
LGA    G    85_A      G    85_A     0.956     0    0.041   0.041     1.050   88.214   88.214
LGA    R    86_A      R    86_A     0.599     0    0.076   0.149     0.711   95.238   95.671
LGA    F    87_A      F    87_A     0.273     0    0.016   0.064     0.416  100.000  100.000
LGA    T    88_A      T    88_A     0.252     0    0.012   0.061     0.299  100.000  100.000
LGA    I    89_A      I    89_A     0.048     0    0.019   0.046     0.312  100.000  100.000
LGA    S    90_A      S    90_A     0.230     0    0.025   0.100     0.295  100.000  100.000
LGA    Q    91_A      Q    91_A     0.329     0    0.031   1.159     4.991  100.000   80.794
LGA    D    92_A      D    92_A     0.323     0    0.050   0.131     0.912  100.000   95.238
LGA    K    93_A      K    93_A     0.367     0    0.010   0.307     0.679  100.000   96.825
LGA    A    94_A      A    94_A     0.363     0    0.100   0.095     0.892   95.238   96.190
LGA    K    95_A      K    95_A     0.404     0    0.086   0.688     2.283   97.619   91.905
LGA    N    96_A      N    96_A     0.413     0    0.052   1.222     4.074  100.000   80.298
LGA    T    97_A      T    97_A     0.232     0    0.045   0.083     0.319  100.000  100.000
LGA    V    98_A      V    98_A     0.274     0    0.018   0.227     0.864  100.000   98.639
LGA    Y    99_A      Y    99_A     0.263     0    0.010   0.074     0.685  100.000   99.206
LGA    L   100_A      L   100_A     0.301     0    0.060   0.091     0.379  100.000  100.000
LGA    Q   101_A      Q   101_A     0.338     0    0.014   0.118     0.385  100.000  100.000
LGA    M   102_A      M   102_A     0.409     0    0.066   0.865     2.936   95.238   92.262
LGA    N   103_A      N   103_A     0.419     0    0.039   0.234     0.954   95.238   94.048
LGA    S   104_A      S   104_A     0.350     0    0.012   0.054     0.456  100.000  100.000
LGA    L   105_A      L   105_A     0.376     0    0.059   0.085     0.463  100.000  100.000
LGA    K   106_A      K   106_A     0.437     0    0.033   0.192     0.610  100.000   96.825
LGA    P   107_A      P   107_A     0.293     0    0.053   0.123     0.526  100.000   98.639
LGA    E   108_A      E   108_A     0.277     0    0.037   0.823     1.753  100.000   89.841
LGA    D   109_A      D   109_A     0.351     0    0.016   0.060     0.647  100.000   95.238
LGA    T   110_A      T   110_A     0.248     0    0.118   0.172     0.485  100.000  100.000
LGA    A   111_A      A   111_A     0.324     0    0.025   0.025     0.356  100.000  100.000
LGA    M   112_A      M   112_A     0.293     0    0.021   0.660     2.617  100.000   92.321
LGA    Y   113_A      Y   113_A     0.272     0    0.019   0.100     0.379  100.000  100.000
LGA    V   114_A      V   114_A     0.389     0    0.021   1.211     2.656  100.000   87.483
LGA    C   115_A      C   115_A     0.061     0    0.052   0.064     0.340  100.000  100.000
LGA    A   116_A      A   116_A     0.249     0    0.037   0.047     0.420  100.000  100.000
LGA    T   117_A      T   117_A     0.369     0    0.140   0.194     0.926  100.000   95.918
LGA    A   118_A      A   118_A     1.184     0    0.175   0.233     1.989   79.286   79.714
LGA    G   119_A      G   119_A     1.092     0    0.616   0.616     1.175   85.952   85.952
LGA    D   120_A      D   120_A     3.739     0    0.118   0.282     8.738   48.452   29.643
LGA    R   121_A      R   121_A     4.768     0    0.321   0.946    15.912   28.333   11.255
LGA    W   122_A      W   122_A     6.020     0    0.641   1.155    15.252   23.214    7.687
LGA    H   123_A      H   123_A     5.036     0    0.055   1.185     8.444   26.190   21.762
LGA    A   124_A      A   124_A     5.619     0    0.298   0.324     7.488   42.619   36.095
LGA    T   125_A      T   125_A     3.741     0    0.229   1.200     8.263   45.000   29.320
LGA    D   126_A      D   126_A     1.174     0    0.433   1.257     5.538   72.976   56.190
LGA    A   127_A      A   127_A     2.079     0    0.115   0.121     2.641   72.976   69.810
LGA    F   128_A      F   128_A     0.733     0    0.071   0.264     1.717   83.810   84.762
LGA    I   129_A      I   129_A     1.965     0    0.029   0.510     4.740   72.976   62.798
LGA    L   130_A      L   130_A     1.094     0    0.155   1.398     4.451   83.690   73.869
LGA    R   131_A      R   131_A     0.820     0    0.151   0.839     4.651   90.595   62.208
LGA    D   132_A      D   132_A     0.406     0    0.046   0.347     1.232   95.238   91.726
LGA    F   133_A      F   133_A     1.064     0    0.021   1.110     7.475   83.690   57.619
LGA    V   134_A      V   134_A     1.225     0    0.041   1.192     3.228   81.429   74.558
LGA    Y   135_A      Y   135_A     0.815     0    0.137   0.258     1.396   88.214   89.722
LGA    E   136_A      E   136_A     0.814     0    0.025   0.698     2.513   90.476   82.751
LGA    Y   137_A      Y   137_A     0.352     0    0.026   0.195     1.230  100.000   92.183
LGA    W   138_A      W   138_A     0.019     0    0.052   0.110     0.468  100.000  100.000
LGA    G   139_A      G   139_A     0.159     0    0.059   0.059     0.250  100.000  100.000
LGA    Q   140_A      Q   140_A     0.353     0    0.121   0.130     1.671  100.000   89.735
LGA    G   141_A      G   141_A     0.567     0    0.075   0.075     0.567   95.238   95.238
LGA    T   142_A      T   142_A     0.527     0    0.049   0.065     0.568   92.857   94.558
LGA    Q   143_A      Q   143_A     0.420     0    0.076   0.137     0.613   97.619   96.825
LGA    V   144_A      V   144_A     0.109     0    0.031   0.073     0.284  100.000  100.000
LGA    T   145_A      T   145_A     0.099     0    0.025   0.073     0.384  100.000  100.000
LGA    V   146_A      V   146_A     0.279     0    0.030   0.047     0.323  100.000  100.000
LGA    S   147_A      S   147_A     0.469     0    0.044   0.618     3.215   92.976   83.889
LGA    S   148_A      S   148_A     1.332     0    0.249   0.710     2.364   77.381   74.524
LGA    A   149_A      A   149_A     2.721     0    0.136   0.194     3.984   66.905   62.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00     962    962  100.00               127
SUMMARY(RMSD_GDC):     1.371          1.305                  2.543           90.891   85.716

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  127    4.0    125    1.21    93.307    96.208     9.525

LGA_LOCAL      RMSD:   1.212  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.375  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.371  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.029964 * X  +  -0.717290 * Y  +  -0.696131 * Z  +   0.538122
  Y_new =   0.450938 * X  +   0.611842 * Y  +  -0.649849 * Z  + -38.440407
  Z_new =   0.892052 * X  +  -0.333384 * Y  +   0.305120 * Z  +   8.288609 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.637147 -1.101866 -0.829635   [DEG:   93.8016  -63.1323  -47.5346 ]
ZXZ: -0.819769  1.260732  1.928450   [DEG:  -46.9693   72.2346  110.4921 ]
 
# END of job
