
#######################################################
#                                                     #
#                        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  173 ( 1303),  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       1.46     1.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127      23_A - 149_A       1.46     1.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94      24_A - 117_A       0.98     1.49
  LONGEST_CONTINUOUS_SEGMENT:    94      25_A - 118_A       0.98     1.49
  LCS_AVERAGE:     60.23

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     25  127  127      3    5   11   35   59  108  121  122  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    24_A     V    24_A     94  127  127      9   71  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    25_A     Q    25_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    26_A     L    26_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    27_A     V    27_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    28_A     E    28_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    29_A     S    29_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    30_A     G    30_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    31_A     G    31_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    32_A     G    32_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    33_A     S    33_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    34_A     V    34_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    35_A     Q    35_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    36_A     A    36_A     94  127  127     82  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    37_A     G    37_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    38_A     G    38_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    39_A     S    39_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    40_A     L    40_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    41_A     R    41_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    42_A     L    42_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    43_A     S    43_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C    44_A     C    44_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    45_A     A    45_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    46_A     A    46_A     94  127  127     88  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    47_A     S    47_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    48_A     A    48_A     94  127  127      0    5   12   16  113  117  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    49_A     F    49_A     94  127  127      3    5   12   16   24  114  121  123  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    50_A     G    50_A     94  127  127      3    4    4   42  114  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    51_A     N    51_A     94  127  127      3    6  103  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    52_A     Y    52_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    53_A     M    53_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    54_A     G    54_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    55_A     W    55_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    56_A     F    56_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    57_A     R    57_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    58_A     Q    58_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    59_A     A    59_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P    60_A     P    60_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    61_A     G    61_A     94  127  127     79  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    62_A     K    62_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    63_A     E    63_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    64_A     R    64_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    65_A     E    65_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    66_A     G    66_A     94  127  127     75  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    67_A     V    67_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    68_A     A    68_A     94  127  127     88  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    69_A     A    69_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    70_A     I    70_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    71_A     R    71_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    72_A     T    72_A     94  127  127     88  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    73_A     G    73_A     94  127  127     14   61  106  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    74_A     G    74_A     94  127  127      3    3    3   21   71  116  120  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    75_A     G    75_A     94  127  127      3    3   49  108  115  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    76_A     S    76_A     94  127  127     68  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    77_A     T    77_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    78_A     Y    78_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    79_A     Y    79_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    80_A     T    80_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    81_A     D    81_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    82_A     S    82_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    83_A     V    83_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    84_A     K    84_A     94  127  127     68  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    85_A     G    85_A     94  127  127     72  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    86_A     R    86_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    87_A     F    87_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    88_A     T    88_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    89_A     I    89_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S    90_A     S    90_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    91_A     Q    91_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    92_A     D    92_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    93_A     K    93_A     94  127  127     62  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    94_A     A    94_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    95_A     K    95_A     94  127  127     78  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    96_A     N    96_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    97_A     T    97_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    98_A     V    98_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    99_A     Y    99_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   100_A     L   100_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   101_A     Q   101_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   102_A     M   102_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   103_A     N   103_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   104_A     S   104_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   105_A     L   105_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_A     K   106_A     94  127  127     87  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   107_A     P   107_A     94  127  127     81  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   108_A     E   108_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   109_A     D   109_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   110_A     T   110_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   111_A     A   111_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   112_A     M   112_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   113_A     Y   113_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   114_A     V   114_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     C   115_A     C   115_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   116_A     A   116_A     94  127  127     82  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   117_A     T   117_A     94  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   118_A     A   118_A     94  127  127      3   14  107  111  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   119_A     G   119_A     70  127  127      3    5  107  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   120_A     D   120_A     70  127  127      3    5   26   66  112  116  119  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   121_A     R   121_A      4  127  127      3    4    5   43   99  118  120  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   122_A     W   122_A      4  127  127      3    4   10   46   67  105  120  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   123_A     H   123_A      6  127  127      3    4   10   15   67   97  120  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   124_A     A   124_A      6  127  127      3    4   13   39   75  111  120  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   125_A     T   125_A     24  127  127      5   41  104  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   126_A     D   126_A     24  127  127      5   35  107  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   127_A     A   127_A     24  127  127     18  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_A     F   128_A     24  127  127      5   66  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I   129_A     I   129_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   130_A     L   130_A     24  127  127      4   29  107  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R   131_A     R   131_A     24  127  127      7   91  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   132_A     D   132_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   133_A     F   133_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   134_A     V   134_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   135_A     Y   135_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_A     E   136_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   137_A     Y   137_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   138_A     W   138_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   139_A     G   139_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   140_A     Q   140_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   141_A     G   141_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   142_A     T   142_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   143_A     Q   143_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   144_A     V   144_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   145_A     T   145_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   146_A     V   146_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   147_A     S   147_A     24  127  127     89  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   148_A     S   148_A     24  127  127     88  105  108  112  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A   149_A     A   149_A     24  127  127      0   22  100  111  116  118  121  124  126  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  86.74  (  60.23  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     89    105    108    112    116    118    121    124    126    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  70.08  82.68  85.04  88.19  91.34  92.91  95.28  97.64  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    0.32   0.41   0.51   0.62   0.76   0.87   1.05   1.32   1.40   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46
GDT RMS_ALL_AT   1.51   1.51   1.51   1.50   1.49   1.48   1.49   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  D   120_A      D   120_A
#   possible swapping detected:  F   128_A      F   128_A
#   possible swapping detected:  F   133_A      F   133_A
#   possible swapping detected:  Y   135_A      Y   135_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  Y   137_A      Y   137_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    23_A      E    23_A     4.644     0    0.609   0.843     8.926   42.024   26.402
LGA    V    24_A      V    24_A     2.159     0    0.026   0.119     3.069   63.095   62.857
LGA    Q    25_A      Q    25_A     0.432     0    0.042   1.156     5.132   97.619   71.534
LGA    L    26_A      L    26_A     0.070     0    0.038   0.526     1.380  100.000   95.357
LGA    V    27_A      V    27_A     0.181     0    0.036   0.099     0.319  100.000  100.000
LGA    E    28_A      E    28_A     0.270     0    0.022   0.253     0.809  100.000   98.942
LGA    S    29_A      S    29_A     0.288     0    0.037   0.639     2.100  100.000   94.127
LGA    G    30_A      G    30_A     0.304     0    0.018   0.018     0.383  100.000  100.000
LGA    G    31_A      G    31_A     0.267     0    0.054   0.054     0.337  100.000  100.000
LGA    G    32_A      G    32_A     0.354     0    0.045   0.045     0.354  100.000  100.000
LGA    S    33_A      S    33_A     0.484     0    0.037   0.056     0.677   95.238   93.651
LGA    V    34_A      V    34_A     0.673     0    0.000   1.262     2.719   90.476   80.952
LGA    Q    35_A      Q    35_A     0.676     0    0.104   0.425     1.339   90.476   90.529
LGA    A    36_A      A    36_A     0.840     0    0.034   0.046     1.032   88.214   88.667
LGA    G    37_A      G    37_A     0.647     0    0.063   0.063     0.782   90.476   90.476
LGA    G    38_A      G    38_A     0.716     0    0.012   0.012     0.836   90.476   90.476
LGA    S    39_A      S    39_A     0.709     0    0.047   0.117     0.873   90.476   90.476
LGA    L    40_A      L    40_A     0.366     0    0.088   0.920     3.450   95.238   85.655
LGA    R    41_A      R    41_A     0.323     0    0.008   1.006     3.925  100.000   84.199
LGA    L    42_A      L    42_A     0.263     0    0.072   0.962     2.978  100.000   91.131
LGA    S    43_A      S    43_A     0.386     0    0.056   0.644     2.245  100.000   94.127
LGA    C    44_A      C    44_A     0.361     0    0.072   0.295     1.769  100.000   93.889
LGA    A    45_A      A    45_A     0.164     0    0.060   0.090     0.464  100.000  100.000
LGA    A    46_A      A    46_A     0.423     0    0.086   0.101     0.590   97.619   96.190
LGA    S    47_A      S    47_A     0.283     0    0.662   0.840     3.387   82.857   77.143
LGA    A    48_A      A    48_A     3.307     0    0.435   0.506     4.754   47.381   46.571
LGA    F    49_A      F    49_A     4.011     0    0.217   1.086     6.617   50.357   30.866
LGA    G    50_A      G    50_A     3.224     0    0.442   0.442     3.224   59.286   59.286
LGA    N    51_A      N    51_A     2.151     0    0.654   0.705     6.472   63.095   46.905
LGA    Y    52_A      Y    52_A     0.625     0    0.070   1.230     9.395   90.476   57.500
LGA    M    53_A      M    53_A     0.811     0    0.071   0.108     1.118   90.476   89.345
LGA    G    54_A      G    54_A     0.276     0    0.094   0.094     0.434  100.000  100.000
LGA    W    55_A      W    55_A     0.467     0    0.057   0.102     0.600  100.000   97.959
LGA    F    56_A      F    56_A     0.449     0    0.053   0.102     0.730  100.000   93.939
LGA    R    57_A      R    57_A     0.255     0    0.000   0.477     1.750  100.000   94.113
LGA    Q    58_A      Q    58_A     0.282     0    0.000   1.004     2.838  100.000   91.164
LGA    A    59_A      A    59_A     0.225     0    0.054   0.083     0.391  100.000  100.000
LGA    P    60_A      P    60_A     0.088     0    0.049   0.172     0.959  100.000   97.279
LGA    G    61_A      G    61_A     0.756     0    0.133   0.133     1.514   88.452   88.452
LGA    K    62_A      K    62_A     0.311     2    0.000   0.690     2.563  100.000   71.958
LGA    E    63_A      E    63_A     0.502     0    0.029   0.223     1.994   97.619   88.730
LGA    R    64_A      R    64_A     0.499     0    0.045   0.969     3.193   97.619   78.615
LGA    E    65_A      E    65_A     0.605     0    0.045   0.629     2.026   95.238   86.720
LGA    G    66_A      G    66_A     0.879     0    0.041   0.041     0.879   90.476   90.476
LGA    V    67_A      V    67_A     0.444     0    0.063   0.302     1.201   92.857   93.265
LGA    A    68_A      A    68_A     0.749     0    0.038   0.056     0.761   90.476   90.476
LGA    A    69_A      A    69_A     0.631     0    0.036   0.052     0.713   90.476   90.476
LGA    I    70_A      I    70_A     0.601     0    0.037   0.462     1.315   92.857   88.274
LGA    R    71_A      R    71_A     0.317     0    0.122   1.588     7.460   90.833   61.212
LGA    T    72_A      T    72_A     1.048     0    0.078   0.181     3.446   85.952   75.918
LGA    G    73_A      G    73_A     1.868     0    0.571   0.571     4.746   62.976   62.976
LGA    G    74_A      G    74_A     3.899     0    0.741   0.741     3.899   59.762   59.762
LGA    G    75_A      G    75_A     2.924     0    0.256   0.256     4.126   54.048   54.048
LGA    S    76_A      S    76_A     1.506     0    0.105   0.775     3.736   81.548   73.730
LGA    T    77_A      T    77_A     0.914     0    0.046   0.074     1.021   88.214   89.184
LGA    Y    78_A      Y    78_A     0.636     0    0.000   1.227     8.989   90.476   54.206
LGA    Y    79_A      Y    79_A     0.362     0    0.025   0.145     1.194  100.000   94.484
LGA    T    80_A      T    80_A     0.287     0    0.065   0.174     0.626  100.000   98.639
LGA    D    81_A      D    81_A     0.648     0    0.030   0.357     2.104   90.476   83.869
LGA    S    82_A      S    82_A     0.593     0    0.129   0.127     0.847   95.238   93.651
LGA    V    83_A      V    83_A     0.434     0    0.044   0.156     0.600   97.619   97.279
LGA    K    84_A      K    84_A     0.922     0    0.607   0.876     3.374   78.095   81.958
LGA    G    85_A      G    85_A     1.023     0    0.148   0.148     1.839   81.548   81.548
LGA    R    86_A      R    86_A     0.404     0    0.094   0.633     1.256   97.619   92.338
LGA    F    87_A      F    87_A     0.277     0    0.000   0.237     0.852  100.000   96.537
LGA    T    88_A      T    88_A     0.437     0    0.106   0.919     2.502   97.619   87.279
LGA    I    89_A      I    89_A     0.455     0    0.042   0.571     0.981  100.000   95.238
LGA    S    90_A      S    90_A     0.473     0    0.060   0.662     2.080   95.238   90.952
LGA    Q    91_A      Q    91_A     0.599     0    0.024   0.693     2.817   90.595   75.714
LGA    D    92_A      D    92_A     0.566     0    0.080   0.195     0.860   90.476   90.476
LGA    K    93_A      K    93_A     0.666     0    0.077   0.969     5.828   90.476   70.317
LGA    A    94_A      A    94_A     0.600     0    0.042   0.053     0.705   92.857   92.381
LGA    K    95_A      K    95_A     0.620     0    0.191   0.615     2.707   92.857   83.862
LGA    N    96_A      N    96_A     0.265     0    0.038   1.171     4.452   97.619   83.155
LGA    T    97_A      T    97_A     0.408     0    0.065   0.992     2.681   95.238   85.918
LGA    V    98_A      V    98_A     0.650     0    0.075   0.221     1.263   95.238   91.905
LGA    Y    99_A      Y    99_A     0.439     0    0.000   0.141     0.635   97.619   95.238
LGA    L   100_A      L   100_A     0.475     0    0.079   0.083     0.523   97.619   97.619
LGA    Q   101_A      Q   101_A     0.529     0    0.020   0.116     0.812   95.238   94.709
LGA    M   102_A      M   102_A     0.279     0    0.049   0.765     2.781  100.000   93.452
LGA    N   103_A      N   103_A     0.468     0    0.050   0.085     0.817  100.000   95.238
LGA    S   104_A      S   104_A     0.434     0    0.024   0.722     2.301  100.000   94.127
LGA    L   105_A      L   105_A     0.538     0    0.058   0.247     0.981   90.476   90.476
LGA    K   106_A      K   106_A     0.696     0    0.056   0.616     1.641   95.238   85.714
LGA    P   107_A      P   107_A     0.756     0    0.688   0.837     3.712   76.429   78.571
LGA    E   108_A      E   108_A     0.533     0    0.205   1.123     4.864   92.857   74.762
LGA    D   109_A      D   109_A     0.255     0    0.076   0.131     0.394  100.000  100.000
LGA    T   110_A      T   110_A     0.289     0    0.000   0.173     1.123  100.000   95.986
LGA    A   111_A      A   111_A     0.296     0    0.085   0.089     0.356  100.000  100.000
LGA    M   112_A      M   112_A     0.271     0    0.064   1.136     4.549  100.000   80.774
LGA    Y   113_A      Y   113_A     0.180     0    0.037   0.118     0.434  100.000  100.000
LGA    V   114_A      V   114_A     0.256     0    0.036   1.087     2.456  100.000   89.932
LGA    C   115_A      C   115_A     0.207     0    0.055   0.246     0.843  100.000   98.413
LGA    A   116_A      A   116_A     0.718     0    0.079   0.142     0.903   92.857   92.381
LGA    T   117_A      T   117_A     0.685     0    0.178   0.308     1.830   92.857   86.735
LGA    A   118_A      A   118_A     2.226     0    0.206   0.274     2.420   68.810   68.000
LGA    G   119_A      G   119_A     2.180     0    0.593   0.593     2.180   70.952   70.952
LGA    D   120_A      D   120_A     4.160     0    0.696   1.237    10.331   41.905   23.333
LGA    R   121_A      R   121_A     4.048     0    0.326   0.702    11.571   41.310   19.654
LGA    W   122_A      W   122_A     4.895     0    0.166   1.085     8.157   34.286   18.673
LGA    H   123_A      H   123_A     5.223     0    0.061   1.222     5.683   26.190   30.524
LGA    A   124_A      A   124_A     4.973     0    0.050   0.104     6.332   39.048   34.667
LGA    T   125_A      T   125_A     2.187     0    0.129   1.076     3.598   65.119   60.816
LGA    D   126_A      D   126_A     1.557     0    0.047   0.166     3.200   75.000   66.131
LGA    A   127_A      A   127_A     1.500     0    0.185   0.185     2.246   72.976   72.952
LGA    F   128_A      F   128_A     2.022     0    0.178   1.129    10.668   75.119   37.965
LGA    I   129_A      I   129_A     0.601     0    0.113   0.910     2.444   85.952   79.524
LGA    L   130_A      L   130_A     1.672     0    0.190   1.178     6.969   81.548   56.786
LGA    R   131_A      R   131_A     1.216     0    0.053   1.424     6.131   85.952   53.160
LGA    D   132_A      D   132_A     0.348     0    0.034   0.196     0.634   95.238   97.619
LGA    F   133_A      F   133_A     0.779     0    0.097   1.167     8.197   85.952   52.987
LGA    V   134_A      V   134_A     0.799     0    0.084   1.297     3.595   88.214   78.639
LGA    Y   135_A      Y   135_A     0.734     0    0.054   1.519     9.556   88.214   51.944
LGA    E   136_A      E   136_A     0.739     0    0.040   0.431     1.350   90.476   87.460
LGA    Y   137_A      Y   137_A     0.521     0    0.004   0.413     2.461   97.619   81.310
LGA    W   138_A      W   138_A     0.389     0    0.039   0.549     3.029  100.000   75.204
LGA    G   139_A      G   139_A     0.342     0    0.072   0.072     0.470  100.000  100.000
LGA    Q   140_A      Q   140_A     0.379     0    0.051   0.511     2.551  100.000   86.085
LGA    G   141_A      G   141_A     0.259     0    0.033   0.033     0.438  100.000  100.000
LGA    T   142_A      T   142_A     0.411     0    0.027   1.056     2.572  100.000   88.639
LGA    Q   143_A      Q   143_A     0.344     0    0.051   0.114     0.498  100.000  100.000
LGA    V   144_A      V   144_A     0.165     0    0.036   0.087     0.446  100.000  100.000
LGA    T   145_A      T   145_A     0.195     0    0.048   1.014     2.221  100.000   89.932
LGA    V   146_A      V   146_A     0.622     0    0.060   0.117     1.023   92.857   90.544
LGA    S   147_A      S   147_A     0.686     0    0.000   0.607     1.992   88.214   86.032
LGA    S   148_A      S   148_A     0.827     0    0.489   0.607     2.925   82.143   77.698
LGA    A   149_A      A   149_A     2.606     0    0.601   0.606     6.636   42.381   42.571

# 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):     1.459          1.453                  2.473           88.116   81.036

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  173  127    4.0    124    1.32    92.126    95.251     8.737

LGA_LOCAL      RMSD:   1.319  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.460  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.459  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.807180 * X  +   0.520796 * Y  +  -0.277907 * Z  + -146.930954
  Y_new =   0.394520 * X  +  -0.826140 * Y  +  -0.402301 * Z  + 109.258850
  Z_new =  -0.439107 * X  +   0.215089 * Y  +  -0.872308 * Z  + 273.652313 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.454618  0.454605  2.899841   [DEG:   26.0477   26.0469  166.1486 ]
ZXZ: -0.604521  2.630700 -1.115316   [DEG:  -34.6365  150.7280  -63.9029 ]
 
# END of job
