
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , 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:   128       1_B - 128_B       1.94     1.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.94     1.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45      57_B - 101_B       0.87     2.08
  LONGEST_CONTINUOUS_SEGMENT:    45      58_B - 102_B       0.95     2.00
  LCS_AVERAGE:     23.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     Q     1_B     Q     1_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     16   80  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     27   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     21   69  104  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128      9   80  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128     13   83  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3   13   61  106  114  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  128  128      3    3    6   11   23   68  115  121  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      8   65  100  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B      3  128  128      3    3    5    9   19   54  120  121  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     22  128  128     11   77  106  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     22  128  128     39   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     22  128  128     40   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     22  128  128     36   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     22  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     22  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     22  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     22  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     22  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     22  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     22  128  128     34   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     22  128  128     42   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     22  128  128     44   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     22  128  128     40   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     22  128  128      3    8   20   57   92  115  119  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B      4  128  128      8   34   78  109  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B      4  128  128      3    4    4    5   87  107  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     15  128  128      3    5   16   49   77  113  119  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     45  128  128      4   15   73   96  114  117  119  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     45  128  128     12   83  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     45  128  128     26   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     45  128  128     30   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     45  128  128     25   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     45  128  128     37   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     45  128  128     26   79  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     45  128  128     21   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     45  128  128     21   87  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     45  128  128     15   86  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     45  128  128     40   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     45  128  128     40   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     45  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     45  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     45  128  128     45   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     45  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     45  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     45  128  128     31   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     45  128  128     23   74  106  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     45  128  128      4   16   70   94  114  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     11  128  128      3    4   11   19   33   75  105  118  123  124  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      5  128  128      4    4   10   13   13   24   35   50   74   99  119  125  126  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      5  128  128      4   10   19   50   86  106  116  121  123  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      5  128  128      4   12   25   66   94  113  118  121  123  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B     18  128  128      4   20   75  109  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     19  128  128      3    5   47   97  114  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128     14   78  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128      3   50  102  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     34   77  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     33   82  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128     21   79  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     42   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     42   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     46   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     40   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     51   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     47   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     45   88  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     26   80  107  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     24   80  104  112  115  117  120  122  124  125  127  127  127  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  74.47  (  23.40  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     51     88    107    112    115    117    120    122    124    125    127    127    127    128    128    128    128    128    128    128 
GDT PERCENT_AT  39.84  68.75  83.59  87.50  89.84  91.41  93.75  95.31  96.88  97.66  99.22  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.57   0.78   0.85   0.95   1.03   1.19   1.28   1.39   1.50   1.73   1.73   1.73   1.94   1.94   1.94   1.94   1.94   1.94   1.94
GDT RMS_ALL_AT   2.04   2.02   2.03   2.01   2.00   2.01   1.99   2.00   2.00   1.98   1.95   1.95   1.95   1.94   1.94   1.94   1.94   1.94   1.94   1.94

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   115_B      Y   115_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.872     0    0.123   0.811     3.699   92.857   73.280
LGA    V     2_B      V     2_B     0.649     0    0.021   0.106     0.973   90.476   90.476
LGA    Q     3_B      Q     3_B     0.355     0    0.035   1.076     2.499  100.000   91.111
LGA    L     4_B      L     4_B     0.428     0    0.020   1.130     2.737   97.619   89.048
LGA    V     5_B      V     5_B     0.582     0    0.056   0.095     0.866   90.476   90.476
LGA    E     6_B      E     6_B     0.278     0    0.028   0.069     0.364  100.000  100.000
LGA    S     7_B      S     7_B     0.237     0    0.039   0.691     2.071  100.000   94.127
LGA    G     8_B      G     8_B     0.203     0    0.050   0.050     0.331  100.000  100.000
LGA    G     9_B      G     9_B     0.197     0    0.214   0.214     0.776   97.619   97.619
LGA    G    10_B      G    10_B     1.473     0    0.037   0.037     1.473   85.952   85.952
LGA    S    11_B      S    11_B     0.788     0    0.230   0.293     2.568   77.619   80.397
LGA    V    12_B      V    12_B     1.092     0    0.142   1.096     2.382   83.690   77.959
LGA    Q    13_B      Q    13_B     1.722     0    0.036   0.796     5.157   75.000   61.693
LGA    A    14_B      A    14_B     1.586     0    0.071   0.080     1.694   77.143   76.286
LGA    G    15_B      G    15_B     0.823     0    0.101   0.101     1.025   92.976   92.976
LGA    G    16_B      G    16_B     0.521     0    0.044   0.044     0.521   97.619   97.619
LGA    S    17_B      S    17_B     0.448     0    0.094   0.694     1.639  100.000   93.889
LGA    L    18_B      L    18_B     0.382     0    0.031   1.338     2.805  100.000   86.964
LGA    R    19_B      R    19_B     0.410     0    0.067   1.150     5.306  100.000   77.489
LGA    L    20_B      L    20_B     0.255     0    0.035   0.128     0.477  100.000  100.000
LGA    S    21_B      S    21_B     0.370     0    0.046   0.104     0.771   95.238   95.238
LGA    C    22_B      C    22_B     0.734     0    0.048   0.087     0.947   90.476   90.476
LGA    A    23_B      A    23_B     1.071     0    0.084   0.100     1.217   88.214   86.857
LGA    A    24_B      A    24_B     0.685     0    0.059   0.068     0.808   90.476   90.476
LGA    S    25_B      S    25_B     0.820     0    0.076   0.628     2.482   88.214   84.683
LGA    G    26_B      G    26_B     0.994     0    0.225   0.225     1.938   83.810   83.810
LGA    Y    27_B      Y    27_B     1.492     0    0.590   1.194    11.451   64.762   39.206
LGA    T    28_B      T    28_B     3.371     0    0.668   1.352     6.970   47.381   35.918
LGA    Y    29_B      Y    29_B     4.747     0    0.615   1.222     7.119   35.833   24.008
LGA    S    30_B      S    30_B     2.451     0    0.611   0.694     4.429   52.262   57.778
LGA    M    31_B      M    31_B     4.202     0    0.670   0.500    11.462   46.905   26.548
LGA    Y    32_B      Y    32_B     1.614     0    0.522   1.214    13.689   83.810   33.929
LGA    C    33_B      C    33_B     0.342     0    0.053   0.662     1.245   92.976   90.635
LGA    M    34_B      M    34_B     0.807     0    0.030   0.717     2.346   90.476   87.262
LGA    G    35_B      G    35_B     0.760     0    0.038   0.038     0.825   90.476   90.476
LGA    W    36_B      W    36_B     0.485     0    0.063   0.110     0.794   92.857   91.837
LGA    F    37_B      F    37_B     0.580     0    0.037   0.173     0.628   92.857   94.805
LGA    R    38_B      R    38_B     0.423     0    0.046   0.904     2.855   97.619   88.528
LGA    Q    39_B      Q    39_B     0.563     0    0.034   0.468     2.234   92.857   85.661
LGA    A    40_B      A    40_B     1.136     0    0.042   0.069     1.322   83.690   83.238
LGA    P    41_B      P    41_B     1.231     0    0.027   0.361     2.517   81.429   76.735
LGA    G    42_B      G    42_B     0.760     0    0.287   0.287     2.028   81.786   81.786
LGA    K    43_B      K    43_B     0.439     0    0.073   0.576     2.679   97.619   86.349
LGA    E    44_B      E    44_B     0.802     0    0.040   0.957     3.899   90.476   75.820
LGA    R    45_B      R    45_B     0.842     0    0.057   1.115     4.821   88.214   74.935
LGA    E    46_B      E    46_B     1.007     0    0.067   0.657     1.886   85.952   81.534
LGA    G    47_B      G    47_B     0.970     0    0.033   0.033     1.152   88.214   88.214
LGA    V    48_B      V    48_B     0.370     0    0.031   0.126     1.403  100.000   94.626
LGA    A    49_B      A    49_B     0.811     0    0.056   0.060     0.938   90.476   90.476
LGA    G    50_B      G    50_B     0.585     0    0.054   0.054     0.665   95.238   95.238
LGA    I    51_B      I    51_B     0.369     0    0.045   0.549     1.253   97.619   90.655
LGA    C    52_B      C    52_B     0.690     0    0.128   0.891     5.208   82.024   71.190
LGA    A    53_B      A    53_B     3.867     0    0.474   0.441     6.319   52.143   45.143
LGA    N    54_B      N    54_B     2.730     0    0.192   0.917     4.614   55.000   49.286
LGA    G    55_B      G    55_B     3.898     0    0.219   0.219     3.898   50.119   50.119
LGA    K    56_B      K    56_B     4.344     0    0.165   0.595     7.610   40.119   25.926
LGA    A    57_B      A    57_B     3.172     0    0.242   0.286     3.430   59.167   57.333
LGA    I    58_B      I    58_B     1.404     0    0.094   1.200     3.864   77.143   70.417
LGA    H    59_B      H    59_B     1.273     0    0.060   1.157     4.764   85.952   67.476
LGA    Y    60_B      Y    60_B     1.163     0    0.034   1.254     7.379   79.286   59.365
LGA    V    61_B      V    61_B     1.218     0    0.020   0.073     1.741   85.952   82.789
LGA    D    62_B      D    62_B     0.827     0    0.041   0.115     1.613   88.214   83.750
LGA    S    63_B      S    63_B     1.277     0    0.229   0.642     2.117   79.286   75.794
LGA    V    64_B      V    64_B     0.686     0    0.058   0.597     1.852   90.476   86.667
LGA    K    65_B      K    65_B     0.436     0    0.020   0.635     3.506   92.857   77.884
LGA    G    66_B      G    66_B     0.804     0    0.132   0.132     0.804   90.476   90.476
LGA    R    67_B      R    67_B     0.712     0    0.033   1.148     3.234   90.476   80.519
LGA    F    68_B      F    68_B     0.640     0    0.023   0.311     1.204   90.476   88.831
LGA    T    69_B      T    69_B     0.913     0    0.150   0.163     1.295   88.214   85.306
LGA    I    70_B      I    70_B     0.351     0    0.020   0.621     2.465  100.000   94.405
LGA    S    71_B      S    71_B     0.436     0    0.060   0.596     2.058   95.238   90.952
LGA    Q    72_B      Q    72_B     1.092     0    0.096   1.081     2.836   83.690   77.831
LGA    D    73_B      D    73_B     1.325     0    0.064   0.311     1.822   83.690   79.345
LGA    N    74_B      N    74_B     1.319     0    0.056   1.114     5.532   81.429   62.560
LGA    A    75_B      A    75_B     0.736     0    0.029   0.037     1.001   88.214   88.667
LGA    K    76_B      K    76_B     0.785     0    0.026   0.125     1.459   90.476   87.460
LGA    N    77_B      N    77_B     0.401     0    0.066   0.310     1.917   92.857   89.464
LGA    T    78_B      T    78_B     0.479     0    0.020   1.011     2.371   97.619   88.367
LGA    V    79_B      V    79_B     0.497     0    0.052   0.185     0.702   97.619   97.279
LGA    Y    80_B      Y    80_B     0.514     0    0.021   0.086     1.231   92.857   89.008
LGA    L    81_B      L    81_B     0.613     0    0.073   0.089     0.936   92.857   91.667
LGA    Q    82_B      Q    82_B     0.822     0    0.063   0.358     1.713   90.476   88.571
LGA    M    83_B      M    83_B     0.716     0    0.130   0.171     0.921   92.857   92.857
LGA    N    84_B      N    84_B     0.636     0    0.044   0.095     1.137   90.476   89.345
LGA    S    85_B      S    85_B     0.674     0    0.033   0.703     3.008   90.476   83.730
LGA    L    86_B      L    86_B     0.579     0    0.034   0.262     0.858   92.857   92.857
LGA    K    87_B      K    87_B     0.990     0    0.064   0.536     2.479   90.476   79.841
LGA    P    88_B      P    88_B     0.867     0    0.048   0.095     1.268   90.476   86.599
LGA    E    89_B      E    89_B     1.023     0    0.047   1.054     3.793   85.952   76.402
LGA    D    90_B      D    90_B     0.692     0    0.048   0.175     1.123   92.857   90.536
LGA    T    91_B      T    91_B     0.412     0    0.018   0.918     2.493   95.238   88.231
LGA    A    92_B      A    92_B     0.305     0    0.068   0.069     0.387  100.000  100.000
LGA    M    93_B      M    93_B     0.434     0    0.074   0.977     3.075   97.619   85.774
LGA    Y    94_B      Y    94_B     0.369     0    0.053   0.124     0.849   97.619   96.825
LGA    Y    95_B      Y    95_B     0.512     0    0.019   0.153     1.574   90.476   85.992
LGA    C    96_B      C    96_B     0.582     0    0.050   0.061     0.731   95.238   93.651
LGA    A    97_B      A    97_B     0.411     0    0.026   0.039     0.643   95.238   96.190
LGA    A    98_B      A    98_B     0.465     0    0.031   0.059     0.481  100.000  100.000
LGA    D    99_B      D    99_B     0.400     0    0.040   0.562     1.930   97.619   91.845
LGA    S   100_B      S   100_B     0.835     0    0.036   0.120     1.349   85.952   87.460
LGA    R   101_B      R   101_B     1.660     0    0.160   1.356     8.515   70.952   46.147
LGA    G   102_B      G   102_B     3.908     0    0.111   0.111     5.310   38.214   38.214
LGA    G   103_B      G   103_B     7.802     0    0.041   0.041     8.246    9.762    9.762
LGA    I   104_B      I   104_B    10.919     0    0.600   1.469    17.182    0.714    0.357
LGA    W   105_B      W   105_B     7.000     0    0.099   0.828     9.218   15.357   19.626
LGA    Y   106_B      Y   106_B     6.413     0    0.114   0.379    11.871   23.333    9.405
LGA    E   107_B      E   107_B     3.150     0    0.397   0.347     4.623   48.571   43.704
LGA    Q   108_B      Q   108_B     3.054     0    0.310   0.659     8.855   63.333   36.508
LGA    Q   109_B      Q   109_B     1.261     0    0.094   0.993     4.308   81.548   67.884
LGA    L   110_B      L   110_B     1.671     0    0.226   0.997     6.547   79.286   56.250
LGA    S   111_B      S   111_B     1.209     0    0.069   0.521     2.006   85.952   81.667
LGA    T   112_B      T   112_B     0.100     0    0.042   1.236     2.516   97.619   87.483
LGA    L   113_B      L   113_B     1.337     0    0.067   0.086     2.474   81.548   75.179
LGA    R   114_B      R   114_B     1.440     0    0.038   0.736     1.793   79.286   83.247
LGA    Y   115_B      Y   115_B     0.737     0    0.047   0.190     1.580   90.476   85.238
LGA    N   116_B      N   116_B     0.717     0    0.051   0.804     3.967   95.238   77.738
LGA    Y   117_B      Y   117_B     0.332     0    0.018   0.476     4.243  100.000   73.929
LGA    W   118_B      W   118_B     0.307     0    0.059   0.149     0.759  100.000   93.878
LGA    G   119_B      G   119_B     0.563     0    0.046   0.046     0.563   97.619   97.619
LGA    Q   120_B      Q   120_B     0.392     0    0.136   1.211     5.997   97.619   71.534
LGA    G   121_B      G   121_B     0.759     0    0.096   0.096     0.833   92.857   92.857
LGA    T   122_B      T   122_B     0.563     0    0.029   1.094     2.590   95.238   85.918
LGA    Q   123_B      Q   123_B     0.310     0    0.019   0.261     1.356  100.000   93.704
LGA    V   124_B      V   124_B     0.335     0    0.049   0.147     0.987  100.000   98.639
LGA    T   125_B      T   125_B     0.582     0    0.043   0.460     1.521   88.214   85.374
LGA    V   126_B      V   126_B     0.941     0    0.032   0.061     1.353   85.952   86.599
LGA    S   127_B      S   127_B     1.641     0    0.038   0.688     2.313   75.000   72.937
LGA    S   128_B      S   128_B     1.809     0    0.057   0.671     2.435   72.857   71.508

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.942          1.868                  2.809           84.138   78.047

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    122    1.28    87.891    93.298     8.816

LGA_LOCAL      RMSD:   1.284  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.999  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.942  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.882319 * X  +   0.428082 * Y  +  -0.195598 * Z  +   9.150805
  Y_new =   0.139906 * X  +   0.158249 * Y  +   0.977437 * Z  + -46.444134
  Z_new =   0.449376 * X  +  -0.889777 * Y  +   0.079735 * Z  +  58.311893 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.157257 -0.466067 -1.481423   [DEG:    9.0102  -26.7037  -84.8793 ]
ZXZ: -2.944088  1.490977  2.673918   [DEG: -168.6838   85.4267  153.2042 ]
 
# END of job
