
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72       7_B - 78_B        0.92     1.73
  LCS_AVERAGE:     46.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     7_B     E     7_B     72  126  126     29   98  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     72  126  126     44   99  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     72  126  126     45  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     72  126  126     45  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     72  126  126     45  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     72  126  126     47  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     72  126  126     47  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     72  126  126     60  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     72  126  126     51  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     72  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     72  126  126     17   64  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     72  126  126      5    5    9   13   71  110  118  120  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     72  126  126      3    6    9   57   71  115  118  120  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     72  126  126     13   55  101  112  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     72  126  126      4   37  102  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     72  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     72  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     72  126  126     36  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     72  126  126     65  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     72  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     72  126  126     48  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     33  126  126      3   18   33   78  109  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     33  126  126      3   16   55  108  116  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4  126  126      3    6   19   44   95  116  121  123  123  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B      4  126  126      3    4   10   19   33   86  117  123  123  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     46  126  126      7   59  108  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     46  126  126      7   60  106  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     46  126  126     54  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     46  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     46  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     46  126  126     31  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     46  126  126     35   99  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     46  126  126     40  100  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     46  126  126     40  100  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     46  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     46  126  126     64  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     46  126  126     40  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     46  126  126     65  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     46  126  126     65  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     46  126  126     56  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     46  126  126     30  100  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     46  126  126     38  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     46  126  126     17  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     46  126  126     25   98  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     46  126  126     38  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     46  126  126     65  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     46  126  126     67  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     46  126  126     65  101  109  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     46  126  126      5   37  108  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     46  126  126      3    6   20   41  105  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     11  126  126      3    7   20   32   60  113  121  122  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5  126  126     13   70  105  114  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5  126  126      3    5   43  100  117  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5  126  126      3   16   46   80  111  119  121  123  124  125  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  82.20  (  46.61  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     67    101    109    114    117    119    121    123    124    125    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  53.17  80.16  86.51  90.48  92.86  94.44  96.03  97.62  98.41  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.50   0.58   0.73   0.83   0.95   1.13   1.29   1.33   1.42   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49
GDT RMS_ALL_AT   1.55   1.54   1.54   1.52   1.52   1.50   1.49   1.49   1.50   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.946     0    0.279   0.954     4.533   68.929   57.460
LGA    E     8_B      E     8_B     1.551     0    0.055   0.972     5.045   77.143   59.259
LGA    A     9_B      A     9_B     1.361     0    0.038   0.068     1.428   81.429   81.429
LGA    K    10_B      K    10_B     1.401     0    0.040   0.178     1.638   81.429   80.476
LGA    E    11_B      E    11_B     1.218     0    0.047   0.781     4.943   83.690   68.042
LGA    A    12_B      A    12_B     1.103     0    0.027   0.029     1.416   85.952   85.048
LGA    I    13_B      I    13_B     0.937     0    0.016   0.477     1.461   88.214   85.952
LGA    I    14_B      I    14_B     0.557     0    0.037   0.209     1.484   95.238   91.726
LGA    A    15_B      A    15_B     0.305     0    0.052   0.076     0.462  100.000  100.000
LGA    M    16_B      M    16_B     0.613     0    0.017   0.931     4.679   95.238   79.048
LGA    L    17_B      L    17_B     0.218     0    0.013   0.051     0.684  100.000   96.429
LGA    K    18_B      K    18_B     0.320     0    0.063   0.358     1.709   97.619   95.926
LGA    E    19_B      E    19_B     0.674     0    0.043   0.294     1.173   92.857   90.529
LGA    W    20_B      W    20_B     0.571     0    0.024   0.301     1.236   90.476   91.905
LGA    Y    21_B      Y    21_B     0.506     0    0.038   0.130     0.543   95.238   98.413
LGA    D    22_B      D    22_B     0.750     0    0.061   0.076     0.908   90.476   90.476
LGA    A    23_B      A    23_B     0.888     0    0.025   0.028     1.062   88.214   88.667
LGA    M    24_B      M    24_B     0.716     0    0.044   0.848     2.446   90.476   80.833
LGA    N    25_B      N    25_B     0.731     0    0.041   0.099     1.058   90.476   89.345
LGA    E    26_B      E    26_B     0.781     0    0.013   0.115     1.057   88.214   91.587
LGA    G    27_B      G    27_B     1.092     0    0.037   0.037     1.235   81.429   81.429
LGA    D    28_B      D    28_B     1.103     0    0.055   0.130     1.788   83.690   81.488
LGA    M    29_B      M    29_B     0.906     0    0.035   0.614     1.342   88.214   85.952
LGA    E    30_B      E    30_B     0.938     0    0.050   0.915     2.482   90.476   80.847
LGA    K    31_B      K    31_B     0.833     0    0.075   1.039     5.855   90.476   68.889
LGA    L    32_B      L    32_B     0.572     0    0.039   0.099     0.648   90.476   95.238
LGA    R    33_B      R    33_B     0.672     0    0.044   0.494     3.808   90.476   75.671
LGA    S    34_B      S    34_B     0.610     0    0.110   0.132     1.013   88.214   88.968
LGA    L    35_B      L    35_B     0.321     0    0.102   0.109     0.522   97.619   98.810
LGA    V    36_B      V    36_B     0.285     0    0.022   0.070     0.412  100.000  100.000
LGA    D    37_B      D    37_B     0.377     0    0.018   0.111     0.934  100.000   96.429
LGA    P    38_B      P    38_B     0.349     0    0.051   0.070     0.518  100.000   98.639
LGA    D    39_B      D    39_B     0.333     0    0.019   0.660     1.634  100.000   93.214
LGA    A    40_B      A    40_B     0.288     0    0.023   0.022     0.316  100.000  100.000
LGA    S    41_B      S    41_B     0.232     0    0.097   0.088     0.408  100.000  100.000
LGA    F    42_B      F    42_B     0.434     0    0.053   0.112     0.568  100.000   98.268
LGA    V    43_B      V    43_B     0.950     0    0.064   0.074     1.568   88.214   84.082
LGA    D    44_B      D    44_B     2.008     0    0.127   0.655     3.327   67.024   62.143
LGA    A    45_B      A    45_B     4.712     0    0.126   0.125     5.818   31.905   29.810
LGA    R    46_B      R    46_B     5.118     0    0.027   1.462    13.755   31.548   15.628
LGA    T    47_B      T    47_B     2.930     0    0.044   0.058     3.537   59.524   56.531
LGA    N    48_B      N    48_B     2.363     0    0.031   1.076     4.366   69.048   57.202
LGA    Q    49_B      Q    49_B     0.967     0    0.053   0.159     2.875   83.810   76.085
LGA    V    50_B      V    50_B     0.532     0    0.024   0.068     0.832   92.857   91.837
LGA    Y    51_B      Y    51_B     0.430     0    0.019   0.099     0.860   97.619   96.032
LGA    D    52_B      D    52_B     0.373     0    0.039   0.197     0.809  100.000   98.810
LGA    K    53_B      K    53_B     0.208     0    0.023   0.106     0.557  100.000   97.884
LGA    D    54_B      D    54_B     0.156     0    0.045   0.164     0.410  100.000  100.000
LGA    Q    55_B      Q    55_B     0.267     0    0.045   0.112     0.679  100.000   96.825
LGA    F    56_B      F    56_B     0.111     0    0.017   0.073     0.751  100.000   97.403
LGA    L    57_B      L    57_B     0.379     0    0.019   0.068     0.561   97.619   97.619
LGA    Q    58_B      Q    58_B     0.442     0    0.034   1.632     6.366  100.000   71.534
LGA    M    59_B      M    59_B     0.311     0    0.044   0.136     0.743  100.000   97.619
LGA    I    60_B      I    60_B     0.427     0    0.043   0.130     0.866  100.000   96.429
LGA    K    61_B      K    61_B     0.595     0    0.015   0.317     2.304   92.857   85.714
LGA    E    62_B      E    62_B     0.432     0    0.067   0.232     1.166  100.000   93.704
LGA    A    63_B      A    63_B     0.163     0    0.032   0.051     0.234  100.000  100.000
LGA    L    64_B      L    64_B     0.293     0    0.027   0.060     0.466  100.000  100.000
LGA    E    65_B      E    65_B     0.445     0    0.065   0.158     1.255   97.619   90.635
LGA    Q    66_B      Q    66_B     0.291     0    0.041   1.002     2.516  100.000   92.222
LGA    D    67_B      D    67_B     0.264     0    0.044   0.770     3.229  100.000   84.940
LGA    L    68_B      L    68_B     0.155     0    0.030   0.042     0.685  100.000   98.810
LGA    K    69_B      K    69_B     0.113     0    0.062   0.300     1.333  100.000   97.937
LGA    V    70_B      V    70_B     0.616     0    0.078   0.099     1.021   92.857   90.544
LGA    E    71_B      E    71_B     0.505     0    0.038   0.646     2.075   92.857   90.794
LGA    V    72_B      V    72_B     0.388     0    0.040   0.062     0.512   97.619   98.639
LGA    K    73_B      K    73_B     0.414     0    0.043   0.105     0.714  100.000   95.767
LGA    S    74_B      S    74_B     0.377     0    0.040   0.047     0.538   97.619   98.413
LGA    I    75_B      I    75_B     0.486     0    0.058   0.158     1.086   92.976   95.298
LGA    D    76_B      D    76_B     1.013     0    0.047   0.643     2.532   88.214   79.643
LGA    I    77_B      I    77_B     0.675     0    0.124   0.140     1.906   95.238   89.524
LGA    E    78_B      E    78_B     0.734     0    0.165   0.394     2.733   86.190   79.947
LGA    Q    79_B      Q    79_B     3.655     0    0.068   0.844    11.523   48.452   24.444
LGA    Q    80_B      Q    80_B     3.098     0    0.081   1.203     3.849   51.786   51.693
LGA    P    81_B      P    81_B     4.695     0    0.219   0.388     5.834   30.595   30.272
LGA    D    82_B      D    82_B     5.742     0    0.222   0.782    10.195   33.571   18.571
LGA    G    83_B      G    83_B     1.748     0    0.534   0.534     3.015   67.143   67.143
LGA    D    84_B      D    84_B     2.025     0    0.132   0.289     3.509   73.095   64.345
LGA    V    85_B      V    85_B     0.453     0    0.044   0.134     0.876   97.619   97.279
LGA    V    86_B      V    86_B     0.667     0    0.036   0.168     1.126   92.857   90.544
LGA    I    87_B      I    87_B     0.679     0    0.069   0.616     2.014   92.857   87.321
LGA    V    88_B      V    88_B     0.707     0    0.030   0.067     0.909   90.476   90.476
LGA    K    89_B      K    89_B     0.735     0    0.029   0.714     4.087   92.857   77.090
LGA    V    90_B      V    90_B     0.435     0    0.027   0.029     0.489  100.000  100.000
LGA    K    91_B      K    91_B     0.335     0    0.066   0.210     0.899  100.000   95.767
LGA    V    92_B      V    92_B     0.662     0    0.078   0.086     0.733   92.857   91.837
LGA    R    93_B      R    93_B     0.362     0    0.106   0.230     1.162  100.000   94.026
LGA    A    94_B      A    94_B     0.508     0    0.047   0.056     0.730   95.238   94.286
LGA    T    95_B      T    95_B     0.480     0    0.092   1.041     2.302   95.238   87.007
LGA    M    96_B      M    96_B     0.488     0    0.090   0.398     1.966   97.619   90.774
LGA    V    97_B      V    97_B     1.054     0    0.041   0.125     1.193   85.952   85.306
LGA    R    98_B      R    98_B     1.113     0    0.098   1.229     6.597   79.286   59.654
LGA    Q   101_B      Q   101_B     1.152     0    0.171   1.094     5.735   83.690   66.878
LGA    E   102_B      E   102_B     1.098     0    0.069   0.630     3.169   83.690   74.286
LGA    H   103_B      H   103_B     0.656     0    0.138   0.215     1.975   92.857   86.095
LGA    V   104_B      V   104_B     0.725     0    0.029   0.098     1.540   90.476   86.667
LGA    F   105_B      F   105_B     0.770     0    0.047   1.211     3.543   95.238   79.481
LGA    E   106_B      E   106_B     0.339     0    0.081   1.103     5.339   95.238   69.735
LGA    V   107_B      V   107_B     0.513     0    0.061   1.021     2.477   97.619   87.075
LGA    V   108_B      V   108_B     0.317     0    0.018   0.154     0.543  100.000   97.279
LGA    D   109_B      D   109_B     0.557     0    0.013   0.109     0.609   92.857   92.857
LGA    T   110_B      T   110_B     0.766     0    0.068   0.076     1.092   90.476   89.184
LGA    Y   111_B      Y   111_B     0.558     0    0.032   0.088     0.830   90.476   91.270
LGA    E   112_B      E   112_B     0.526     0    0.041   0.265     1.227   90.476   89.471
LGA    F   113_B      F   113_B     0.561     0    0.052   0.198     1.464   90.476   86.364
LGA    R   114_B      R   114_B     0.534     0    0.069   0.668     3.471   92.857   82.251
LGA    R   115_B      R   115_B     0.878     0    0.031   1.286     2.721   88.214   80.260
LGA    K   116_B      K   116_B     0.854     0    0.089   0.658     1.399   90.476   87.460
LGA    G   117_B      G   117_B     1.188     0    0.030   0.030     1.188   88.214   88.214
LGA    D   118_B      D   118_B     0.717     0    0.082   0.572     2.415   92.857   86.190
LGA    S   119_B      S   119_B     1.134     0    0.138   0.191     2.243   88.214   80.397
LGA    W   120_B      W   120_B     0.723     0    0.044   0.182     1.374   90.476   85.306
LGA    K   121_B      K   121_B     0.406     0    0.034   0.167     0.934   97.619   93.651
LGA    I   122_B      I   122_B     0.538     0    0.041   0.095     0.583   95.238   92.857
LGA    V   123_B      V   123_B     0.312     0    0.060   0.081     0.455  100.000  100.000
LGA    K   124_B      K   124_B     0.403     0    0.033   0.135     0.534  100.000   97.884
LGA    L   125_B      L   125_B     0.553     0    0.115   0.155     0.553   95.238   96.429
LGA    V   126_B      V   126_B     0.637     0    0.023   0.074     0.887   92.857   91.837
LGA    S   127_B      S   127_B     0.508     0    0.065   0.159     0.636   90.476   92.063
LGA    E   128_B      E   128_B     0.571     0    0.128   0.990     3.505   90.476   77.566
LGA    I   129_B      I   129_B     1.895     0    0.064   0.140     4.456   65.357   55.238
LGA    T   130_B      T   130_B     4.114     0    0.641   0.935     6.084   36.786   34.082
LGA    Q   131_B      Q   131_B     5.147     0    0.021   1.048    12.324   37.738   18.095
LGA    L   132_B      L   132_B     1.873     0    0.633   0.535     8.738   70.833   45.238
LGA    G   133_B      G   133_B     2.714     0    0.373   0.373     2.714   64.881   64.881
LGA    S   134_B      S   134_B     4.179     0    0.546   0.759     5.702   37.619   33.889

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     1.488          1.441                  2.198           87.723   82.624

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    123    1.29    92.063    95.485     8.839

LGA_LOCAL      RMSD:   1.292  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.491  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.488  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.684138 * X  +   0.325405 * Y  +   0.652737 * Z  +  10.633971
  Y_new =   0.675839 * X  +   0.619320 * Y  +   0.399605 * Z  +  13.722178
  Z_new =  -0.274220 * X  +   0.714531 * Y  +  -0.643622 * Z  +  26.331343 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.362297  0.277778  2.304033   [DEG:  135.3496   15.9155  132.0113 ]
ZXZ:  2.120138  2.270018 -0.366442   [DEG:  121.4749  130.0625  -20.9956 ]
 
# END of job
