
#######################################################
#                                                     #
#                        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       1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      31_B - 101_B       0.99     2.06
  LONGEST_CONTINUOUS_SEGMENT:    71      32_B - 102_B       0.97     2.08
  LCS_AVERAGE:     38.62

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     20   51   91  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     41   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     26   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     56   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     25   94  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     22   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     25   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     43   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     43   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     14   78  106  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128     11   75  106  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3    6   14   68  111  115  119  121  121  122  125  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      3  128  128      0    4    5    7    8   14   20   85  107  122  122  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      3    9   28   69  113  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     71  128  128      3    4    4    8  103  115  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     71  128  128      5   58  106  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     71  128  128     44   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     71  128  128     51   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     71  128  128     40   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     71  128  128     15   94  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     71  128  128      8   51  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     71  128  128     20   83  107  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     71  128  128     20   84  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     71  128  128     26   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     71  128  128     46   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     71  128  128     53   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     71  128  128     53   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     71  128  128      3    3   31   55  113  115  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     71  128  128     44   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     71  128  128     25   92  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     71  128  128     29   92  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     71  128  128     15   86  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     71  128  128     45   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     71  128  128     48   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     71  128  128     53   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     71  128  128     44   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     71  128  128     30   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     71  128  128     31   91  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     71  128  128     31   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     71  128  128     46   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     71  128  128     50   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     71  128  128     45   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     71  128  128     45   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     71  128  128     46   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     71  128  128     41   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     71  128  128     41   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     71  128  128     52   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     71  128  128     46   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     71  128  128     46   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     71  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     71  128  128     41   91  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     71  128  128     13   37   97  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     71  128  128     19   90  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     71  128  128      3   12   45  102  113  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      5  128  128      3    6   11   27   52   88  112  117  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      5  128  128      3    7   14   25   50   93  112  117  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  128  128      3    4   12   20   39   63  107  117  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4  128  128      3    5   14   24   44   71  107  117  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3    4    8   12   19   45   79   96  120  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      3  128  128      3    3    4    6    6   46   78  108  120  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128     40   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128     35   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     44   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128     27   88  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     33   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     48   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     55   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128      8   92  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     57   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     55   95  108  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128      5   76  107  113  115  116  119  121  123  125  126  127  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.54  (  38.62  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     57     95    108    113    115    116    119    121    123    125    126    127    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  44.53  74.22  84.38  88.28  89.84  90.62  92.97  94.53  96.09  97.66  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.56   0.69   0.78   0.83   0.87   1.05   1.16   1.52   1.76   1.86   1.90   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98
GDT RMS_ALL_AT   2.13   2.08   2.08   2.09   2.09   2.09   2.09   2.07   1.99   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_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     2.820     0    0.137   0.703     4.468   57.262   48.201
LGA    V     2_B      V     2_B     1.032     0    0.018   1.106     3.414   77.143   73.265
LGA    Q     3_B      Q     3_B     0.571     0    0.007   0.917     4.916   97.619   77.354
LGA    L     4_B      L     4_B     0.502     0    0.074   0.127     0.617   90.476   94.048
LGA    V     5_B      V     5_B     0.515     0    0.088   0.135     0.894   92.857   91.837
LGA    E     6_B      E     6_B     0.284     0    0.073   0.589     2.614   97.619   88.995
LGA    S     7_B      S     7_B     0.284     0    0.035   0.045     0.418  100.000  100.000
LGA    G     8_B      G     8_B     0.244     0    0.048   0.048     0.270  100.000  100.000
LGA    G     9_B      G     9_B     0.235     0    0.185   0.185     0.800   97.619   97.619
LGA    G    10_B      G    10_B     1.075     0    0.019   0.019     1.075   88.333   88.333
LGA    S    11_B      S    11_B     0.295     0    0.125   0.138     1.223   90.595   92.143
LGA    V    12_B      V    12_B     0.505     0    0.099   0.190     0.624   92.857   94.558
LGA    Q    13_B      Q    13_B     1.084     0    0.070   1.118     4.120   88.214   71.481
LGA    A    14_B      A    14_B     0.892     0    0.046   0.060     1.137   92.857   90.571
LGA    G    15_B      G    15_B     0.466     0    0.096   0.096     0.803   97.619   97.619
LGA    G    16_B      G    16_B     0.806     0    0.040   0.040     0.806   95.238   95.238
LGA    S    17_B      S    17_B     0.545     0    0.044   0.112     0.738   90.476   90.476
LGA    L    18_B      L    18_B     0.475     0    0.066   1.114     3.471   95.238   86.667
LGA    R    19_B      R    19_B     0.511     0    0.064   1.233     3.774   92.857   79.437
LGA    L    20_B      L    20_B     0.297     0    0.008   0.157     0.618   97.619   97.619
LGA    S    21_B      S    21_B     0.416     0    0.093   0.661     2.058  100.000   94.127
LGA    C    22_B      C    22_B     0.901     0    0.066   0.107     1.481   85.952   84.444
LGA    A    23_B      A    23_B     1.104     0    0.107   0.131     1.188   83.690   83.238
LGA    A    24_B      A    24_B     0.416     0    0.021   0.029     0.671   97.619   96.190
LGA    S    25_B      S    25_B     0.179     0    0.136   0.560     2.066   95.238   89.365
LGA    G    26_B      G    26_B     1.982     0    0.723   0.723     4.603   60.714   60.714
LGA    Y    27_B      Y    27_B     2.192     0    0.538   1.211     9.998   61.190   40.000
LGA    T    28_B      T    28_B     4.093     0    0.582   1.081     7.733   33.929   27.959
LGA    Y    29_B      Y    29_B     6.310     0    0.570   1.282    13.458   25.238    8.730
LGA    S    30_B      S    30_B     3.851     0    0.621   0.821     4.770   39.048   44.048
LGA    M    31_B      M    31_B     3.368     0    0.661   0.763    11.019   59.405   34.583
LGA    Y    32_B      Y    32_B     2.215     0    0.567   1.322    12.471   66.905   28.810
LGA    C    33_B      C    33_B     0.679     0    0.017   0.210     2.304   92.857   86.270
LGA    M    34_B      M    34_B     0.393     0    0.051   1.030     4.134   95.238   82.976
LGA    G    35_B      G    35_B     0.410     0    0.019   0.019     0.816   92.857   92.857
LGA    W    36_B      W    36_B     0.699     0    0.041   0.143     0.816   90.476   90.476
LGA    F    37_B      F    37_B     0.496     0    0.042   0.206     0.567   92.857   97.403
LGA    R    38_B      R    38_B     0.726     0    0.050   0.510     1.149   95.238   91.429
LGA    Q    39_B      Q    39_B     0.372     0    0.120   0.208     0.926   95.238   95.767
LGA    A    40_B      A    40_B     1.102     0    0.053   0.066     1.104   85.952   85.048
LGA    P    41_B      P    41_B     1.455     0    0.007   0.074     1.935   83.690   79.048
LGA    G    42_B      G    42_B     1.574     0    0.252   0.252     1.574   77.143   77.143
LGA    K    43_B      K    43_B     1.302     0    0.067   0.623     1.633   81.429   80.529
LGA    E    44_B      E    44_B     0.905     0    0.030   0.736     4.370   88.214   70.847
LGA    R    45_B      R    45_B     0.081     0    0.025   0.633     1.568   97.619   89.870
LGA    E    46_B      E    46_B     0.586     0    0.085   0.581     1.798   92.857   85.608
LGA    G    47_B      G    47_B     0.786     0    0.079   0.079     1.018   88.214   88.214
LGA    V    48_B      V    48_B     0.242     0    0.021   0.048     0.452  100.000  100.000
LGA    A    49_B      A    49_B     0.429     0    0.031   0.036     0.697  100.000   98.095
LGA    G    50_B      G    50_B     0.491     0    0.063   0.063     0.491  100.000  100.000
LGA    I    51_B      I    51_B     0.156     0    0.049   0.081     0.605  100.000   98.810
LGA    C    52_B      C    52_B     0.501     0    0.011   0.815     5.364   78.333   67.381
LGA    A    53_B      A    53_B     3.825     0    0.463   0.432     5.423   46.071   42.095
LGA    N    54_B      N    54_B     0.839     0    0.199   0.901     2.702   88.214   78.631
LGA    G    55_B      G    55_B     1.269     0    0.028   0.028     1.730   81.548   81.548
LGA    K    56_B      K    56_B     1.401     0    0.078   0.519     2.309   79.286   75.820
LGA    A    57_B      A    57_B     1.611     0    0.143   0.169     1.649   77.143   76.286
LGA    I    58_B      I    58_B     0.667     0    0.028   0.085     0.938   90.476   91.667
LGA    H    59_B      H    59_B     0.656     0    0.025   1.087     2.839   92.857   84.571
LGA    Y    60_B      Y    60_B     0.528     0    0.015   0.136     0.799   90.476   96.032
LGA    V    61_B      V    61_B     0.789     0    0.050   0.904     2.783   90.476   80.952
LGA    D    62_B      D    62_B     0.957     0    0.040   0.096     1.344   88.214   84.821
LGA    S    63_B      S    63_B     1.291     0    0.031   0.057     1.544   81.429   80.000
LGA    V    64_B      V    64_B     0.866     0    0.067   0.223     1.075   90.476   89.184
LGA    K    65_B      K    65_B     0.516     0    0.022   0.170     0.981   90.476   90.476
LGA    G    66_B      G    66_B     1.047     0    0.013   0.013     1.314   83.690   83.690
LGA    R    67_B      R    67_B     0.745     0    0.022   0.156     1.322   90.476   88.009
LGA    F    68_B      F    68_B     0.575     0    0.045   0.101     1.098   92.857   90.563
LGA    T    69_B      T    69_B     0.411     0    0.048   0.109     0.491  100.000  100.000
LGA    I    70_B      I    70_B     0.422     0    0.026   0.120     0.554  100.000   98.810
LGA    S    71_B      S    71_B     0.191     0    0.025   0.057     0.277  100.000  100.000
LGA    Q    72_B      Q    72_B     0.266     0    0.060   1.060     2.443  100.000   87.937
LGA    D    73_B      D    73_B     0.352     0    0.098   0.177     1.047   95.238   92.917
LGA    N    74_B      N    74_B     0.770     0    0.013   1.050     2.689   88.214   82.976
LGA    A    75_B      A    75_B     0.865     0    0.089   0.096     0.877   90.476   90.476
LGA    K    76_B      K    76_B     0.801     0    0.195   0.815     1.532   88.214   84.550
LGA    N    77_B      N    77_B     0.852     0    0.037   0.263     2.797   90.476   79.762
LGA    T    78_B      T    78_B     0.408     0    0.110   0.113     0.639  100.000   97.279
LGA    V    79_B      V    79_B     0.360     0    0.006   0.036     0.503  100.000   98.639
LGA    Y    80_B      Y    80_B     0.314     0    0.051   0.134     0.845  100.000   95.238
LGA    L    81_B      L    81_B     0.494     0    0.069   0.108     0.573   97.619   96.429
LGA    Q    82_B      Q    82_B     0.703     0    0.026   0.199     0.905   92.857   92.593
LGA    M    83_B      M    83_B     0.702     0    0.111   0.164     1.262   92.857   88.274
LGA    N    84_B      N    84_B     0.539     0    0.035   0.166     1.009   92.857   90.536
LGA    S    85_B      S    85_B     0.362     0    0.007   0.032     0.554  100.000   98.413
LGA    L    86_B      L    86_B     0.284     0    0.078   0.129     0.459  100.000  100.000
LGA    K    87_B      K    87_B     0.397     0    0.010   0.179     2.043  100.000   90.899
LGA    P    88_B      P    88_B     0.742     0    0.022   0.029     0.861   90.476   90.476
LGA    E    89_B      E    89_B     0.802     0    0.039   0.922     2.371   90.476   83.651
LGA    D    90_B      D    90_B     0.496     0    0.031   0.152     0.592   97.619   98.810
LGA    T    91_B      T    91_B     0.408     0    0.018   0.074     0.534  100.000   98.639
LGA    A    92_B      A    92_B     0.311     0    0.014   0.029     0.463  100.000  100.000
LGA    M    93_B      M    93_B     0.448     0    0.073   0.347     1.421   95.238   91.786
LGA    Y    94_B      Y    94_B     0.463     0    0.071   0.131     0.735   95.238   97.619
LGA    Y    95_B      Y    95_B     0.326     0    0.018   0.069     0.460  100.000  100.000
LGA    C    96_B      C    96_B     0.382     0    0.023   0.066     0.431  100.000  100.000
LGA    A    97_B      A    97_B     0.314     0    0.044   0.042     0.722   97.619   96.190
LGA    A    98_B      A    98_B     0.533     0    0.077   0.098     0.807   92.857   92.381
LGA    D    99_B      D    99_B     1.448     0    0.680   1.219     4.458   66.190   63.333
LGA    S   100_B      S   100_B     2.658     0    0.074   0.247     3.681   59.524   55.238
LGA    R   101_B      R   101_B     1.636     0    0.623   0.988     7.176   62.143   53.723
LGA    G   102_B      G   102_B     3.974     0    0.102   0.102     6.429   34.167   34.167
LGA    G   103_B      G   103_B     6.891     0    0.377   0.377     6.891   23.333   23.333
LGA    I   104_B      I   104_B     7.017     0    0.128   0.195     8.392    7.976    9.702
LGA    W   105_B      W   105_B     7.416     0    0.543   0.875     9.083    7.500   12.075
LGA    Y   106_B      Y   106_B     8.076     0    0.558   0.581    10.293    6.548    3.095
LGA    E   107_B      E   107_B     8.113     0    0.296   1.059    13.527    5.357    2.540
LGA    Q   108_B      Q   108_B     7.854     0    0.209   1.009    15.532   14.405    6.455
LGA    Q   109_B      Q   109_B     0.876     0    0.661   1.539     7.484   78.690   54.497
LGA    L   110_B      L   110_B     0.947     0    0.041   0.157     1.136   88.214   88.214
LGA    S   111_B      S   111_B     0.766     0    0.102   0.472     1.007   95.238   92.143
LGA    T   112_B      T   112_B     0.471     0    0.024   0.110     1.178   95.238   91.905
LGA    L   113_B      L   113_B     0.766     0    0.144   0.184     1.929   90.595   84.940
LGA    R   114_B      R   114_B     1.226     0    0.144   1.293     8.379   85.952   52.208
LGA    Y   115_B      Y   115_B     0.811     0    0.014   0.071     1.147   90.476   88.214
LGA    N   116_B      N   116_B     0.654     0    0.041   0.194     0.736   90.476   90.476
LGA    Y   117_B      Y   117_B     0.468     0    0.103   0.440     3.012   97.619   79.365
LGA    W   118_B      W   118_B     0.286     0    0.049   0.125     0.776  100.000   95.918
LGA    G   119_B      G   119_B     0.326     0    0.030   0.030     0.489  100.000  100.000
LGA    Q   120_B      Q   120_B     1.118     0    0.080   1.002     8.312   88.214   55.344
LGA    G   121_B      G   121_B     0.266     0    0.023   0.023     0.438  100.000  100.000
LGA    T   122_B      T   122_B     0.431     0    0.040   0.063     0.960   97.619   94.558
LGA    Q   123_B      Q   123_B     0.119     0    0.063   0.815     3.649  100.000   85.026
LGA    V   124_B      V   124_B     0.285     0    0.056   0.118     0.692   97.619   97.279
LGA    T   125_B      T   125_B     0.238     0    0.018   0.379     1.314   97.619   94.626
LGA    V   126_B      V   126_B     0.446     0    0.053   0.058     0.692   95.238   97.279
LGA    S   127_B      S   127_B     0.689     0    0.027   0.695     2.304   85.952   84.762
LGA    S   128_B      S   128_B     1.709     0    0.622   0.526     2.448   77.143   73.016

# 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):     1.975          1.990                  2.917           84.775   80.457

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    121    1.16    89.258    93.664     9.607

LGA_LOCAL      RMSD:   1.159  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.067  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.975  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.181727 * X  +   0.694569 * Y  +  -0.696095 * Z  +  28.279366
  Y_new =  -0.855997 * X  +   0.236672 * Y  +   0.459625 * Z  +   3.972887
  Z_new =   0.483988 * X  +   0.679382 * Y  +   0.551540 * Z  +   7.798790 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.779989 -0.505206  0.888886   [DEG: -101.9859  -28.9462   50.9294 ]
ZXZ: -2.154372  0.986588  0.618996   [DEG: -123.4364   56.5273   35.4659 ]
 
# END of job
