
#######################################################
#                                                     #
#                        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       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       1.00     1.40
  LCS_AVERAGE:     66.16

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    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B    101  128  128     78  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B    101  128  128     82  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B    101  128  128     84  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B    101  128  128     80  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B    101  128  128      7   98  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B    101  128  128      3    5   50   69  117  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B    101  128  128      3    3    7    7   26   42   53  118  124  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B    101  128  128      9   23   99  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B    101  128  128      3    7    9   12  111  118  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B    101  128  128      4   28  107  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B    101  128  128     53  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B    101  128  128     22  104  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B    101  128  128      4   90  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B    101  128  128     29  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B    101  128  128      3   14   47  108  117  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B    101  128  128     33  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B    101  128  128     82  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B    101  128  128     47  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B    101  128  128     81  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B    101  128  128     83  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B    101  128  128     84  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B    101  128  128     84  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B    101  128  128     84  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B    101  128  128     78  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B    101  128  128     53  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B    101  128  128     24   99  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B    101  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     75  128  128      3    9  106  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     75  128  128      3    5    5  113  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B     75  128  128      3    5   20  112  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      3  128  128      3    5   12   15   36   84  120  124  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      3  128  128      3    4    5   70  116  120  122  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3    4    5   70   92  120  122  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      4  128  128      3    4    5    6    8   60  115  124  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128      3   28   40   94  117  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     23  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     38  105  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128      7   69  111  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     77  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     20  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     86  107  112  115  118  120  123  125  127  128  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  88.72  (  66.16  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     86    107    112    115    118    120    123    125    127    128    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  67.19  83.59  87.50  89.84  92.19  93.75  96.09  97.66  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.41   0.49   0.58   0.71   0.81   0.96   1.10   1.30   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.42   1.41   1.41   1.41   1.40   1.41   1.41   1.39   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.463     0    0.055   0.377     1.965   97.619   88.836
LGA    V     2_B      V     2_B     0.508     0    0.072   0.126     0.816   90.476   91.837
LGA    Q     3_B      Q     3_B     0.324     0    0.035   1.190     4.581  100.000   81.534
LGA    L     4_B      L     4_B     0.297     0    0.019   0.060     0.351  100.000  100.000
LGA    V     5_B      V     5_B     0.359     0    0.018   0.106     0.837  100.000   97.279
LGA    E     6_B      E     6_B     0.120     0    0.080   0.100     0.332  100.000  100.000
LGA    S     7_B      S     7_B     0.209     0    0.015   0.043     0.313  100.000  100.000
LGA    G     8_B      G     8_B     0.145     0    0.024   0.024     0.384  100.000  100.000
LGA    G     9_B      G     9_B     0.316     0    0.063   0.063     0.358  100.000  100.000
LGA    G    10_B      G    10_B     0.709     0    0.012   0.012     0.709   95.238   95.238
LGA    S    11_B      S    11_B     0.399     0    0.151   0.759     1.892   90.833   89.365
LGA    V    12_B      V    12_B     0.315     0    0.108   0.160     0.776   97.619   97.279
LGA    Q    13_B      Q    13_B     0.496     0    0.027   0.825     2.018   97.619   88.783
LGA    A    14_B      A    14_B     0.364     0    0.042   0.077     0.567  100.000   98.095
LGA    G    15_B      G    15_B     0.135     0    0.095   0.095     0.530   97.619   97.619
LGA    G    16_B      G    16_B     0.229     0    0.025   0.025     0.239  100.000  100.000
LGA    S    17_B      S    17_B     0.331     0    0.015   0.128     0.473  100.000  100.000
LGA    L    18_B      L    18_B     0.203     0    0.011   0.121     0.585  100.000   98.810
LGA    R    19_B      R    19_B     0.104     0    0.020   0.689     2.859  100.000   93.550
LGA    L    20_B      L    20_B     0.151     0    0.008   0.057     0.252  100.000  100.000
LGA    S    21_B      S    21_B     0.331     0    0.024   0.702     2.348  100.000   94.127
LGA    C    22_B      C    22_B     0.675     0    0.052   0.087     1.161   92.857   90.556
LGA    A    23_B      A    23_B     0.712     0    0.050   0.077     0.779   90.476   90.476
LGA    A    24_B      A    24_B     0.341     0    0.035   0.039     0.439  100.000  100.000
LGA    S    25_B      S    25_B     0.127     0    0.030   0.093     0.999   95.238   95.238
LGA    G    26_B      G    26_B     0.973     0    0.053   0.053     1.633   86.190   86.190
LGA    Y    27_B      Y    27_B     1.783     0    0.599   0.787     4.776   60.714   70.437
LGA    T    28_B      T    28_B     3.489     0    0.530   0.452     5.524   42.619   36.395
LGA    Y    29_B      Y    29_B     5.451     0    0.680   1.161    12.767   32.976   11.944
LGA    S    30_B      S    30_B     2.780     0    0.639   0.833     4.126   50.357   55.159
LGA    M    31_B      M    31_B     3.440     0    0.673   0.740    10.978   55.714   32.381
LGA    Y    32_B      Y    32_B     2.240     0    0.576   1.356    13.471   70.952   28.611
LGA    C    33_B      C    33_B     0.381     0    0.013   0.218     2.271   95.357   87.937
LGA    M    34_B      M    34_B     0.399     0    0.040   1.011     4.260   95.238   82.976
LGA    G    35_B      G    35_B     0.849     0    0.062   0.062     0.849   90.476   90.476
LGA    W    36_B      W    36_B     0.358     0    0.017   0.051     0.562  100.000   98.639
LGA    F    37_B      F    37_B     0.256     0    0.046   0.116     0.363  100.000  100.000
LGA    R    38_B      R    38_B     0.260     0    0.005   0.117     0.799  100.000   97.403
LGA    Q    39_B      Q    39_B     0.200     0    0.093   0.162     0.988   95.238   95.767
LGA    A    40_B      A    40_B     1.264     0    0.056   0.066     1.456   83.690   83.238
LGA    P    41_B      P    41_B     1.633     0    0.045   0.074     2.313   79.405   74.286
LGA    G    42_B      G    42_B     1.050     0    0.296   0.296     1.260   83.690   83.690
LGA    K    43_B      K    43_B     0.605     0    0.036   0.956     3.766   90.476   82.381
LGA    E    44_B      E    44_B     0.406     0    0.023   0.758     3.537   95.238   79.048
LGA    R    45_B      R    45_B     0.221     0    0.068   0.368     1.164  100.000   97.446
LGA    E    46_B      E    46_B     0.355     0    0.069   0.552     1.648  100.000   90.741
LGA    G    47_B      G    47_B     0.514     0    0.048   0.048     0.940   92.857   92.857
LGA    V    48_B      V    48_B     0.268     0    0.032   0.034     0.405  100.000  100.000
LGA    A    49_B      A    49_B     0.270     0    0.016   0.022     0.298  100.000  100.000
LGA    G    50_B      G    50_B     0.270     0    0.010   0.010     0.406  100.000  100.000
LGA    I    51_B      I    51_B     0.235     0    0.036   0.064     0.449  100.000  100.000
LGA    C    52_B      C    52_B     0.323     0    0.025   0.809     4.948   82.500   72.381
LGA    A    53_B      A    53_B     3.310     0    0.465   0.445     4.915   52.857   48.571
LGA    N    54_B      N    54_B     0.839     0    0.199   1.100     5.322   97.619   70.536
LGA    G    55_B      G    55_B     0.568     0    0.052   0.052     0.940   92.857   92.857
LGA    K    56_B      K    56_B     1.093     0    0.057   0.531     1.746   81.548   79.577
LGA    A    57_B      A    57_B     0.717     0    0.096   0.130     0.942   90.476   90.476
LGA    I    58_B      I    58_B     0.228     0    0.030   0.050     0.486  100.000  100.000
LGA    H    59_B      H    59_B     0.161     0    0.021   1.250     5.754  100.000   68.190
LGA    Y    60_B      Y    60_B     0.188     0    0.042   0.100     0.474  100.000  100.000
LGA    V    61_B      V    61_B     0.322     0    0.040   1.203     2.958  100.000   88.844
LGA    D    62_B      D    62_B     0.221     0    0.033   0.212     0.811  100.000   98.810
LGA    S    63_B      S    63_B     0.306     0    0.059   0.063     0.519  100.000   96.825
LGA    V    64_B      V    64_B     0.087     0    0.046   0.145     0.356  100.000  100.000
LGA    K    65_B      K    65_B     0.224     0    0.021   0.545     2.392  100.000   88.942
LGA    G    66_B      G    66_B     0.443     0    0.031   0.031     0.612   97.619   97.619
LGA    R    67_B      R    67_B     0.350     0    0.014   0.061     0.425  100.000  100.000
LGA    F    68_B      F    68_B     0.246     0    0.030   0.068     0.389  100.000  100.000
LGA    T    69_B      T    69_B     0.222     0    0.046   0.051     0.266  100.000  100.000
LGA    I    70_B      I    70_B     0.187     0    0.034   0.081     0.344  100.000  100.000
LGA    S    71_B      S    71_B     0.088     0    0.034   0.097     0.215  100.000  100.000
LGA    Q    72_B      Q    72_B     0.400     0    0.024   0.934     2.472  100.000   87.884
LGA    D    73_B      D    73_B     0.610     0    0.080   0.194     1.503   92.857   87.202
LGA    N    74_B      N    74_B     0.519     0    0.041   0.976     2.395   95.238   89.821
LGA    A    75_B      A    75_B     0.645     0    0.058   0.055     0.647   90.476   90.476
LGA    K    76_B      K    76_B     0.577     0    0.139   0.254     1.051   88.214   91.587
LGA    N    77_B      N    77_B     0.687     0    0.028   0.333     2.261   92.857   85.119
LGA    T    78_B      T    78_B     0.307     0    0.092   0.116     0.429  100.000  100.000
LGA    V    79_B      V    79_B     0.228     0    0.032   1.139     2.429  100.000   88.571
LGA    Y    80_B      Y    80_B     0.062     0    0.066   0.080     0.906  100.000   96.825
LGA    L    81_B      L    81_B     0.252     0    0.023   0.046     0.293  100.000  100.000
LGA    Q    82_B      Q    82_B     0.196     0    0.035   0.110     0.396  100.000  100.000
LGA    M    83_B      M    83_B     0.308     0    0.066   0.122     0.474  100.000  100.000
LGA    N    84_B      N    84_B     0.207     0    0.023   0.119     0.631  100.000   97.619
LGA    S    85_B      S    85_B     0.108     0    0.025   0.074     0.302  100.000  100.000
LGA    L    86_B      L    86_B     0.076     0    0.047   0.069     0.155  100.000  100.000
LGA    K    87_B      K    87_B     0.254     0    0.012   0.105     0.756  100.000   98.942
LGA    P    88_B      P    88_B     0.389     0    0.013   0.042     0.486  100.000  100.000
LGA    E    89_B      E    89_B     0.353     0    0.062   0.381     1.043  100.000   95.820
LGA    D    90_B      D    90_B     0.147     0    0.019   0.042     0.232  100.000  100.000
LGA    T    91_B      T    91_B     0.090     0    0.085   0.112     0.495  100.000  100.000
LGA    A    92_B      A    92_B     0.234     0    0.022   0.037     0.320  100.000  100.000
LGA    M    93_B      M    93_B     0.181     0    0.010   1.050     2.387  100.000   91.012
LGA    Y    94_B      Y    94_B     0.218     0    0.031   0.064     0.240  100.000  100.000
LGA    Y    95_B      Y    95_B     0.228     0    0.016   0.072     0.367  100.000  100.000
LGA    C    96_B      C    96_B     0.371     0    0.046   0.676     2.363  100.000   92.540
LGA    A    97_B      A    97_B     0.308     0    0.041   0.046     0.683   97.619   98.095
LGA    A    98_B      A    98_B     0.464     0    0.121   0.151     0.707   97.619   96.190
LGA    D    99_B      D    99_B     1.240     0    0.074   0.670     2.431   83.690   77.321
LGA    S   100_B      S   100_B     1.432     0    0.070   0.065     2.379   85.952   78.889
LGA    R   101_B      R   101_B     0.296     0    0.614   0.761     2.606   88.810   78.139
LGA    G   102_B      G   102_B     2.148     0    0.615   0.615     3.492   63.095   63.095
LGA    G   103_B      G   103_B     2.925     0    0.631   0.631     2.925   62.976   62.976
LGA    I   104_B      I   104_B     2.675     0    0.557   0.751     5.457   50.119   41.667
LGA    W   105_B      W   105_B     5.847     0    0.582   0.783    14.656   24.048    9.864
LGA    Y   106_B      Y   106_B     4.327     0    0.608   0.510     6.542   35.714   26.508
LGA    E   107_B      E   107_B     4.161     0    0.612   0.911     8.076   34.405   23.598
LGA    Q   108_B      Q   108_B     5.685     0    0.064   0.239    13.837   26.786   12.751
LGA    Q   109_B      Q   109_B     3.571     0    0.589   1.467    12.254   53.810   27.725
LGA    L   110_B      L   110_B     0.646     0    0.303   0.291     1.634   85.952   83.750
LGA    S   111_B      S   111_B     0.847     0    0.121   0.489     1.531   90.476   86.032
LGA    T   112_B      T   112_B     0.354     0    0.016   0.048     0.817   95.238   95.918
LGA    L   113_B      L   113_B     1.299     0    0.112   0.216     2.207   81.548   76.190
LGA    R   114_B      R   114_B     1.775     0    0.016   1.488     7.380   75.000   51.385
LGA    Y   115_B      Y   115_B     0.756     0    0.048   0.137     1.069   85.952   86.706
LGA    N   116_B      N   116_B     0.776     0    0.008   0.901     2.951   90.476   85.179
LGA    Y   117_B      Y   117_B     0.400     0    0.038   0.157     1.633  100.000   89.167
LGA    W   118_B      W   118_B     0.251     0    0.035   0.075     0.623  100.000   96.599
LGA    G   119_B      G   119_B     0.291     0    0.019   0.019     0.291  100.000  100.000
LGA    Q   120_B      Q   120_B     0.437     0    0.049   1.035     3.003  100.000   85.344
LGA    G   121_B      G   121_B     0.291     0    0.037   0.037     0.291  100.000  100.000
LGA    T   122_B      T   122_B     0.200     0    0.015   0.120     0.367  100.000  100.000
LGA    Q   123_B      Q   123_B     0.021     0    0.050   0.192     0.642  100.000   98.942
LGA    V   124_B      V   124_B     0.147     0    0.058   0.084     0.396  100.000  100.000
LGA    T   125_B      T   125_B     0.216     0    0.061   0.452     1.317   97.619   93.333
LGA    V   126_B      V   126_B     0.257     0    0.035   0.035     0.394  100.000  100.000
LGA    S   127_B      S   127_B     0.636     0    0.053   0.629     2.729   90.476   84.921
LGA    S   128_B      S   128_B     0.616     0    0.055   0.605     2.753   90.476   84.921

# 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):     1.382          1.389                  2.572           90.545   86.163

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    125    1.10    92.773    95.779    10.390

LGA_LOCAL      RMSD:   1.103  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.393  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.382  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.230726 * X  +   0.738327 * Y  +   0.633750 * Z  +  32.072170
  Y_new =   0.318915 * X  +   0.557963 * Y  +  -0.766140 * Z  +  -7.888366
  Z_new =  -0.919271 * X  +   0.378880 * Y  +  -0.106727 * Z  +  25.847296 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.944492  1.166224  1.845372   [DEG:   54.1154   66.8197  105.7320 ]
ZXZ:  0.691107  1.677727 -1.179857   [DEG:   39.5975   96.1267  -67.6008 ]
 
# END of job
