
#######################################################
#                                                     #
#                        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  206 ( 1581),  selected  203 , name one
# Molecule2: number of CA atoms  203 ( 1557),  selected  203 , 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:   203       2_B - 204_B       2.66     2.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   200       2_B - 201_B       1.68     2.72
  LCS_AVERAGE:     97.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   111       2_B - 112_B       0.95     2.87
  LONGEST_CONTINUOUS_SEGMENT:   111       3_B - 113_B       0.99     2.84
  LONGEST_CONTINUOUS_SEGMENT:   111       4_B - 114_B       0.94     2.83
  LONGEST_CONTINUOUS_SEGMENT:   111       5_B - 115_B       1.00     2.81
  LCS_AVERAGE:     46.90

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  203
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     2_B     E     2_B    111  200  203      3   21  118  187  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L     3_B     L     3_B    111  200  203      3    7   43   82  187  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R     4_B     R     4_B    111  200  203      3   42  172  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     T     5_B     T     5_B    111  200  203     20   83  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L     6_B     L     6_B    111  200  203      7  148  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P     7_B     P     7_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V     8_B     V     8_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L     9_B     L     9_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P    10_B     P    10_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    11_B     L    11_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R    12_B     R    12_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    13_B     D    13_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I    14_B     I    14_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    15_B     V    15_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    16_B     V    16_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F    17_B     F    17_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P    18_B     P    18_B    111  200  203     51  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     H    19_B     H    19_B    111  200  203     65  153  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     M    20_B     M    20_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    21_B     V    21_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    22_B     V    22_B    111  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P    23_B     P    23_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    24_B     L    24_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F    25_B     F    25_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    26_B     V    26_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G    27_B     G    27_B    111  200  203     63  151  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R    28_B     R    28_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    29_B     D    29_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K    30_B     K    30_B    111  200  203     64  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S    31_B     S    31_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    32_B     V    32_B    111  200  203     63  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R    33_B     R    33_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    34_B     A    34_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    35_B     L    35_B    111  200  203     58  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E    36_B     E    36_B    111  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E    37_B     E    37_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    38_B     V    38_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     M    39_B     M    39_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R    40_B     R    40_B    111  200  203     44  148  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G    41_B     G    41_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    42_B     D    42_B    111  200  203     44  144  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K    43_B     K    43_B    111  200  203     64  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q    44_B     Q    44_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I    45_B     I    45_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    46_B     L    46_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    47_B     L    47_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    48_B     V    48_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     T    49_B     T    49_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q    50_B     Q    50_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K    51_B     K    51_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     N    52_B     N    52_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S    53_B     S    53_B    111  200  203     63  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    54_B     A    54_B    111  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    55_B     D    55_B    111  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    56_B     D    56_B    111  200  203     43  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    57_B     D    57_B    111  200  203     33  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P    58_B     P    58_B    111  200  203     25  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    59_B     A    59_B    111  200  203     18  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P    60_B     P    60_B    111  200  203     43  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G    61_B     G    61_B    111  200  203     11  153  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    62_B     D    62_B    111  200  203     60  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I    63_B     I    63_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F    64_B     F    64_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E    65_B     E    65_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    66_B     V    66_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G    67_B     G    67_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    68_B     V    68_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    69_B     L    69_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    70_B     A    70_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     T    71_B     T    71_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    72_B     V    72_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    73_B     L    73_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q    74_B     Q    74_B    111  200  203     52  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    75_B     L    75_B    111  200  203     37  149  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    76_B     L    76_B    111  200  203     46  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K    77_B     K    77_B    111  200  203     46  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    78_B     L    78_B    111  200  203     37  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P    79_B     P    79_B    111  200  203     37  143  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D    80_B     D    80_B    111  200  203     20  137  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G    81_B     G    81_B    111  200  203     55  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     T    82_B     T    82_B    111  200  203     63  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    83_B     V    83_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K    84_B     K    84_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    85_B     V    85_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L    86_B     L    86_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    87_B     V    87_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E    88_B     E    88_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G    89_B     G    89_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K    90_B     K    90_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    91_B     A    91_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R    92_B     R    92_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    93_B     A    93_B    111  200  203     63  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A    94_B     A    94_B    111  200  203     63  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    95_B     V    95_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V    96_B     V    96_B    111  200  203     40  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S    97_B     S    97_B    111  200  203     15   81  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F    98_B     F    98_B    111  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     T    99_B     T    99_B    111  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D   100_B     D   100_B    111  200  203      3    3    3   29  185  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q   101_B     Q   101_B    111  200  203     45  120  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   102_B     E   102_B    111  200  203     17   84  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   103_B     S   103_B    111  200  203     11  126  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Y   104_B     Y   104_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Y   105_B     Y   105_B    111  200  203     55  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   106_B     E   106_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   107_B     A   107_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q   108_B     Q   108_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   109_B     I   109_B    111  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G   110_B     G   110_B    111  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   111_B     E   111_B    111  200  203      3   80  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   112_B     V   112_B    111  200  203     19  122  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   113_B     S   113_B    111  200  203      3    5    6   85  144  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   114_B     E   114_B    111  200  203      3   68  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D   115_B     D   115_B    111  200  203      3   17   44  105  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D   116_B     D   116_B     81  200  203      3   15   80  175  189  192  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G   117_B     G   117_B     81  200  203      2   31   80  127  177  192  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   118_B     A   118_B     81  200  203      6   45  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G   119_B     G   119_B     81  200  203      5   36  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P   120_B     P   120_B     81  200  203     10   36  175  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   121_B     E   121_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   122_B     A   122_B     81  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   123_B     E   123_B     81  200  203     40  152  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   124_B     A   124_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   125_B     L   125_B     81  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   126_B     S   126_B     81  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R   127_B     R   127_B     81  200  203     55  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   128_B     A   128_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   129_B     V   129_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   130_B     V   130_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   131_B     E   131_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q   132_B     Q   132_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F   133_B     F   133_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   134_B     E   134_B     81  200  203     36  151  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     N   135_B     N   135_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Y   136_B     Y   136_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   137_B     V   137_B     81  200  203     55  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   138_B     K   138_B     81  200  203     52  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   139_B     L   139_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     N   140_B     N   140_B     81  200  203     31  146  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   141_B     K   141_B     81  200  203     23  128  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   142_B     K   142_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   143_B     V   143_B     81  200  203      8   93  174  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P   144_B     P   144_B     81  200  203      8  111  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P   145_B     P   145_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   146_B     E   146_B     81  200  203     33  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   147_B     A   147_B     81  200  203      7   95  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   148_B     L   148_B     81  200  203     18  135  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   149_B     A   149_B     81  200  203     37  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   150_B     S   150_B     81  200  203     29  144  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   151_B     I   151_B     81  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P   152_B     P   152_B     81  200  203     40  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q   153_B     Q   153_B     81  200  203     17  126  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   154_B     I   154_B     81  200  203     40  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   155_B     A   155_B     81  200  203     43  147  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   156_B     E   156_B     81  200  203     43  151  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     P   157_B     P   157_B     81  200  203     29  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G   158_B     G   158_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   159_B     K   159_B     81  200  203     45  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   160_B     L   160_B     81  200  203     39  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   161_B     A   161_B     81  200  203     50  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D   162_B     D   162_B     81  200  203     58  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   163_B     S   163_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   164_B     I   164_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   165_B     A   165_B     81  200  203     43  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   166_B     A   166_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     H   167_B     H   167_B     81  200  203     24  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   168_B     L   168_B     81  200  203     27  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   169_B     S   169_B     81  200  203     16  128  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   170_B     V   170_B     81  200  203     31  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   171_B     K   171_B     81  200  203     36  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   172_B     I   172_B     81  200  203     39  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G   173_B     G   173_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D   174_B     D   174_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   175_B     K   175_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     Q   176_B     Q   176_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     N   177_B     N   177_B     81  200  203     64  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   178_B     L   178_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   179_B     L   179_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   180_B     E   180_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   181_B     I   181_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F   182_B     F   182_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     D   183_B     D   183_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   184_B     V   184_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   185_B     V   185_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   186_B     K   186_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     R   187_B     R   187_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   188_B     L   188_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   189_B     E   189_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     K   190_B     K   190_B     81  200  203     63  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   191_B     V   191_B     81  200  203     55  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     F   192_B     F   192_B     81  200  203     41  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     A   193_B     A   193_B     81  200  203     55  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     L   194_B     L   194_B     81  200  203     65  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     M   195_B     M   195_B     81  200  203     44  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   196_B     E   196_B     81  200  203     20  154  176  188  189  193  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     G   197_B     G   197_B     81  200  203      3    5    5   17  173  188  196  196  196  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     E   198_B     E   198_B      4  200  203      3    5    5    5   24   71  100  173  190  197  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     I   199_B     I   199_B      4  200  203      3    5    5   26   49   75  143  166  193  195  197  198  199  199  199  200  200  200  200  200 
LCS_GDT     S   200_B     S   200_B      5  200  203      3    5   16   32   74  107  146  187  194  196  198  198  199  199  199  200  200  200  200  200 
LCS_GDT     V   201_B     V   201_B      5  200  203      3    5    6    7    7    7    9   15   67   75   88  104  169  195  198  200  200  200  200  200 
LCS_GDT     L   202_B     L   202_B      5    6  203      3    4    6    7    7    7    9   10   12   17   20   20   22   24  134  139  147  153  161  197 
LCS_GDT     Q   203_B     Q   203_B      5    6  203      3    5    6    7    7    7    9   10   12   17   20   20   22   24   82   86  147  153  161  169 
LCS_GDT     V   204_B     V   204_B      5    6  203      3    4    6    7    7    7    9   10   12   17   20   20   26   30   82   86  114  153  161  169 
LCS_AVERAGE  LCS_A:  81.34  (  46.90   97.11  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     65    154    176    188    189    193    196    196    196    197    198    198    199    199    199    200    200    200    200    200 
GDT PERCENT_AT  32.02  75.86  86.70  92.61  93.10  95.07  96.55  96.55  96.55  97.04  97.54  97.54  98.03  98.03  98.03  98.52  98.52  98.52  98.52  98.52
GDT RMS_LOCAL    0.34   0.68   0.78   0.90   0.91   1.05   1.13   1.13   1.13   1.21   1.32   1.32   1.44   1.44   1.44   1.68   1.68   1.68   1.68   1.68
GDT RMS_ALL_AT   2.92   2.80   2.78   2.79   2.79   2.79   2.81   2.81   2.81   2.80   2.77   2.77   2.75   2.75   2.75   2.72   2.72   2.72   2.72   2.72

# Checking swapping
#   possible swapping detected:  E     2_B      E     2_B
#   possible swapping detected:  F    17_B      F    17_B
#   possible swapping detected:  E    37_B      E    37_B
#   possible swapping detected:  D    62_B      D    62_B
#   possible swapping detected:  F    64_B      F    64_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    88_B      E    88_B
#   possible swapping detected:  D   100_B      D   100_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  Y   104_B      Y   104_B
#   possible swapping detected:  Y   105_B      Y   105_B
#   possible swapping detected:  E   111_B      E   111_B
#   possible swapping detected:  E   114_B      E   114_B
#   possible swapping detected:  D   115_B      D   115_B
#   possible swapping detected:  D   116_B      D   116_B
#   possible swapping detected:  E   131_B      E   131_B
#   possible swapping detected:  E   146_B      E   146_B
#   possible swapping detected:  F   182_B      F   182_B
#   possible swapping detected:  F   192_B      F   192_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     2_B      E     2_B     2.614     0    0.223   1.093     8.238   62.857   36.085
LGA    L     3_B      L     3_B     3.670     0    0.063   0.853     9.092   46.905   27.619
LGA    R     4_B      R     4_B     1.984     0    0.029   0.562    13.067   61.429   28.788
LGA    T     5_B      T     5_B     1.857     0    0.421   1.320     4.905   72.976   61.633
LGA    L     6_B      L     6_B     1.180     0    0.105   0.921     2.247   85.952   79.464
LGA    P     7_B      P     7_B     0.802     0    0.059   0.184     1.012   88.214   87.891
LGA    V     8_B      V     8_B     0.606     0    0.024   0.087     0.752   90.476   90.476
LGA    L     9_B      L     9_B     0.574     0    0.031   0.240     1.083   90.476   90.536
LGA    P    10_B      P    10_B     0.567     0    0.038   0.251     0.671   90.476   90.476
LGA    L    11_B      L    11_B     0.588     0    0.034   0.113     0.965   90.476   90.476
LGA    R    12_B      R    12_B     0.633     0    0.047   0.912     3.088   90.476   82.987
LGA    D    13_B      D    13_B     0.683     0    0.098   1.170     5.245   95.238   71.131
LGA    I    14_B      I    14_B     0.351     0    0.042   0.108     1.051   97.619   92.917
LGA    V    15_B      V    15_B     0.700     0    0.043   1.404     3.343   92.857   82.245
LGA    V    16_B      V    16_B     0.790     0    0.036   0.074     0.964   90.476   90.476
LGA    F    17_B      F    17_B     0.777     0    0.030   0.109     1.102   90.476   87.186
LGA    P    18_B      P    18_B     0.873     0    0.066   0.159     0.913   90.476   90.476
LGA    H    19_B      H    19_B     0.997     0    0.073   1.155     4.031   88.214   75.952
LGA    M    20_B      M    20_B     0.422     0    0.033   1.041     4.290  100.000   84.702
LGA    V    21_B      V    21_B     0.415     0    0.036   0.134     0.814  100.000   97.279
LGA    V    22_B      V    22_B     0.688     0    0.165   1.037     2.822   95.238   84.626
LGA    P    23_B      P    23_B     0.411     0    0.046   0.179     0.876   97.619   94.558
LGA    L    24_B      L    24_B     0.399     0    0.020   0.878     2.444  100.000   91.190
LGA    F    25_B      F    25_B     0.723     0    0.068   0.166     1.652   90.476   83.983
LGA    V    26_B      V    26_B     0.809     0    0.066   0.110     1.173   90.476   89.184
LGA    G    27_B      G    27_B     1.024     0    0.130   0.130     1.317   85.952   85.952
LGA    R    28_B      R    28_B     0.712     0    0.021   0.984     3.519   90.476   85.498
LGA    D    29_B      D    29_B     0.921     0    0.061   0.999     3.560   90.476   76.310
LGA    K    30_B      K    30_B     0.889     0    0.046   0.606     1.971   88.214   82.593
LGA    S    31_B      S    31_B     0.761     0    0.023   0.030     0.854   90.476   90.476
LGA    V    32_B      V    32_B     0.945     0    0.034   0.957     2.375   90.476   82.993
LGA    R    33_B      R    33_B     0.890     0    0.019   1.549     7.273   90.476   59.048
LGA    A    34_B      A    34_B     0.814     0    0.029   0.047     0.896   90.476   90.476
LGA    L    35_B      L    35_B     0.937     0    0.034   1.388     3.550   90.476   76.071
LGA    E    36_B      E    36_B     0.955     0    0.053   0.274     1.376   90.476   89.471
LGA    E    37_B      E    37_B     0.741     0    0.071   1.088     4.509   90.476   77.354
LGA    V    38_B      V    38_B     0.669     0    0.035   0.710     2.065   90.476   86.803
LGA    M    39_B      M    39_B     0.810     0    0.065   0.223     1.152   85.952   88.214
LGA    R    40_B      R    40_B     1.255     0    0.202   1.316     9.103   85.952   52.554
LGA    G    41_B      G    41_B     0.664     0    0.348   0.348     4.244   70.476   70.476
LGA    D    42_B      D    42_B     1.338     0    0.297   1.006     2.549   85.952   78.571
LGA    K    43_B      K    43_B     0.975     0    0.032   0.340     2.040   90.476   85.608
LGA    Q    44_B      Q    44_B     0.948     0    0.023   0.740     3.837   88.214   76.455
LGA    I    45_B      I    45_B     0.517     0    0.038   1.455     4.342   95.238   78.810
LGA    L    46_B      L    46_B     0.556     0    0.021   1.412     4.012   90.476   76.429
LGA    L    47_B      L    47_B     0.559     0    0.044   0.981     2.147   90.476   82.917
LGA    V    48_B      V    48_B     0.563     0    0.025   1.131     3.100   90.476   82.177
LGA    T    49_B      T    49_B     0.470     0    0.020   0.108     0.683   95.238   93.197
LGA    Q    50_B      Q    50_B     0.524     0    0.027   0.768     1.796   97.619   89.683
LGA    K    51_B      K    51_B     0.365     0    0.047   0.292     1.362  100.000   94.815
LGA    N    52_B      N    52_B     0.408     0    0.046   0.964     4.732  100.000   76.905
LGA    S    53_B      S    53_B     0.438     0    0.030   0.136     1.299   95.238   92.143
LGA    A    54_B      A    54_B     0.798     0    0.021   0.043     1.105   90.476   88.667
LGA    D    55_B      D    55_B     0.731     0    0.035   1.084     4.824   90.476   74.762
LGA    D    56_B      D    56_B     0.799     0    0.074   0.340     1.462   90.476   88.214
LGA    D    57_B      D    57_B     0.934     0    0.078   0.684     1.922   90.476   86.012
LGA    P    58_B      P    58_B     1.011     0    0.056   0.081     1.087   85.952   86.599
LGA    A    59_B      A    59_B     0.889     0    0.090   0.099     0.981   90.476   90.476
LGA    P    60_B      P    60_B     0.751     0    0.684   0.778     2.442   86.429   84.286
LGA    G    61_B      G    61_B     1.172     0    0.187   0.187     1.902   81.548   81.548
LGA    D    62_B      D    62_B     0.521     0    0.222   0.699     3.120   95.238   83.333
LGA    I    63_B      I    63_B     0.278     0    0.044   0.073     0.600  100.000   96.429
LGA    F    64_B      F    64_B     0.174     0    0.040   0.226     0.431  100.000  100.000
LGA    E    65_B      E    65_B     0.292     0    0.223   0.927     2.694   95.357   79.735
LGA    V    66_B      V    66_B     0.483     0    0.020   0.071     0.583   92.857   95.918
LGA    G    67_B      G    67_B     0.605     0    0.029   0.029     0.687   90.476   90.476
LGA    V    68_B      V    68_B     0.630     0    0.016   1.287     2.975   90.476   83.401
LGA    L    69_B      L    69_B     0.703     0    0.040   1.170     2.782   90.476   83.095
LGA    A    70_B      A    70_B     0.687     0    0.023   0.050     0.698   90.476   90.476
LGA    T    71_B      T    71_B     0.803     0    0.049   1.094     2.950   90.476   84.422
LGA    V    72_B      V    72_B     0.766     0    0.038   0.064     0.895   90.476   90.476
LGA    L    73_B      L    73_B     0.758     0    0.092   0.091     1.203   88.214   89.345
LGA    Q    74_B      Q    74_B     0.995     0    0.054   0.535     1.903   88.214   81.587
LGA    L    75_B      L    75_B     1.209     0    0.057   0.336     1.383   81.429   82.560
LGA    L    76_B      L    76_B     1.152     0    0.078   0.097     1.326   81.429   81.429
LGA    K    77_B      K    77_B     1.153     0    0.029   0.590     2.931   81.429   78.730
LGA    L    78_B      L    78_B     1.250     0    0.041   0.146     1.704   79.286   82.619
LGA    P    79_B      P    79_B     1.519     0    0.062   0.098     1.968   79.286   76.531
LGA    D    80_B      D    80_B     1.598     0    0.722   0.557     4.010   63.929   66.369
LGA    G    81_B      G    81_B     0.594     0    0.037   0.037     0.679   95.238   95.238
LGA    T    82_B      T    82_B     0.437     0    0.090   0.114     0.943   97.619   94.558
LGA    V    83_B      V    83_B     0.399     0    0.104   1.096     3.042  100.000   85.374
LGA    K    84_B      K    84_B     0.619     0    0.034   0.982     5.752   90.476   73.069
LGA    V    85_B      V    85_B     0.633     0    0.023   0.785     2.146   90.476   85.510
LGA    L    86_B      L    86_B     0.601     0    0.045   0.108     1.537   90.476   86.012
LGA    V    87_B      V    87_B     0.519     0    0.048   1.088     2.900   95.238   86.122
LGA    E    88_B      E    88_B     0.577     0    0.044   0.756     1.397   90.476   87.460
LGA    G    89_B      G    89_B     0.464     0    0.056   0.056     1.163   90.595   90.595
LGA    K    90_B      K    90_B     0.669     0    0.049   0.886     1.666   92.857   87.566
LGA    A    91_B      A    91_B     0.815     0    0.074   0.078     0.988   90.476   90.476
LGA    R    92_B      R    92_B     0.599     0    0.024   0.656     1.582   88.214   87.273
LGA    A    93_B      A    93_B     0.879     0    0.142   0.165     1.088   90.476   88.667
LGA    A    94_B      A    94_B     0.671     0    0.056   0.071     1.233   95.238   92.476
LGA    V    95_B      V    95_B     0.190     0    0.054   0.163     0.630  100.000   98.639
LGA    V    96_B      V    96_B     0.670     0    0.125   0.205     1.879   86.190   84.150
LGA    S    97_B      S    97_B     1.870     0    0.061   0.602     2.959   83.929   77.619
LGA    F    98_B      F    98_B     0.822     0    0.059   0.862     2.422   92.976   81.861
LGA    T    99_B      T    99_B     0.936     0    0.350   1.157     3.217   78.333   75.102
LGA    D   100_B      D   100_B     3.643     0    0.565   1.030     8.299   61.429   36.131
LGA    Q   101_B      Q   101_B     1.469     0    0.135   1.091     3.061   70.952   73.333
LGA    E   102_B      E   102_B     1.779     0    0.161   1.170     8.554   79.286   48.360
LGA    S   103_B      S   103_B     1.431     0    0.021   0.204     2.375   81.429   77.222
LGA    Y   104_B      Y   104_B     0.541     0    0.086   0.370     0.873   92.857   91.270
LGA    Y   105_B      Y   105_B     0.479     0    0.049   0.258     3.024  100.000   81.548
LGA    E   106_B      E   106_B     0.402     0    0.012   0.759     2.439  100.000   87.884
LGA    A   107_B      A   107_B     0.348     0    0.019   0.060     0.652   97.619   98.095
LGA    Q   108_B      Q   108_B     0.419     0    0.034   0.855     3.364  100.000   82.698
LGA    I   109_B      I   109_B     0.331     0    0.074   1.273     4.134  100.000   81.310
LGA    G   110_B      G   110_B     0.643     0    0.079   0.079     0.884   90.476   90.476
LGA    E   111_B      E   111_B     1.602     0    0.021   0.977     5.896   77.143   56.772
LGA    V   112_B      V   112_B     1.324     0    0.048   0.193     2.904   73.214   73.265
LGA    S   113_B      S   113_B     3.675     0    0.213   0.300     7.609   45.476   34.365
LGA    E   114_B      E   114_B     1.643     0    0.070   1.187     5.768   72.976   53.439
LGA    D   115_B      D   115_B     3.864     0    0.093   1.104     7.671   46.905   28.155
LGA    D   116_B      D   116_B     2.689     0    0.510   1.109     5.670   67.024   46.667
LGA    G   117_B      G   117_B     3.427     0    0.585   0.585     4.324   48.571   48.571
LGA    A   118_B      A   118_B     1.804     0    0.605   0.635     4.201   61.905   67.619
LGA    G   119_B      G   119_B     1.911     0    0.151   0.151     1.911   72.857   72.857
LGA    P   120_B      P   120_B     2.031     0    0.081   0.073     2.696   70.833   67.143
LGA    E   121_B      E   121_B     0.804     0    0.077   0.939     3.158   90.595   81.270
LGA    A   122_B      A   122_B     0.545     0    0.031   0.039     0.852   92.857   92.381
LGA    E   123_B      E   123_B     1.037     0    0.083   1.056     5.437   88.214   66.296
LGA    A   124_B      A   124_B     0.737     0    0.050   0.069     0.869   90.476   90.476
LGA    L   125_B      L   125_B     0.423     0    0.039   0.395     1.417   97.619   92.917
LGA    S   126_B      S   126_B     0.390     0    0.044   0.133     0.493  100.000  100.000
LGA    R   127_B      R   127_B     0.435     0    0.017   1.476     9.137   95.238   56.926
LGA    A   128_B      A   128_B     0.723     0    0.017   0.045     0.990   90.476   90.476
LGA    V   129_B      V   129_B     0.701     0    0.016   0.284     1.362   90.476   87.891
LGA    V   130_B      V   130_B     0.530     0    0.038   0.122     0.842   92.857   93.197
LGA    E   131_B      E   131_B     0.774     0    0.026   1.385     6.106   90.476   66.772
LGA    Q   132_B      Q   132_B     0.764     0    0.027   1.174     4.906   90.476   74.974
LGA    F   133_B      F   133_B     0.749     0    0.022   0.136     0.827   90.476   90.476
LGA    E   134_B      E   134_B     0.995     0    0.035   0.419     2.175   88.214   84.603
LGA    N   135_B      N   135_B     0.643     0    0.036   1.051     2.363   90.476   84.048
LGA    Y   136_B      Y   136_B     0.630     0    0.056   0.070     1.249   92.857   89.762
LGA    V   137_B      V   137_B     0.424     0    0.164   0.191     0.823   97.619   95.918
LGA    K   138_B      K   138_B     0.771     0    0.085   1.342     3.673   90.476   74.233
LGA    L   139_B      L   139_B     1.118     0    0.149   0.737     3.013   81.548   76.488
LGA    N   140_B      N   140_B     1.122     0    0.388   1.297     4.079   77.619   72.976
LGA    K   141_B      K   141_B     1.496     0    0.508   0.751     3.852   69.762   68.942
LGA    K   142_B      K   142_B     0.650     0    0.393   1.066     6.839   88.214   62.011
LGA    V   143_B      V   143_B     2.140     0    0.083   1.124     3.993   66.786   64.014
LGA    P   144_B      P   144_B     1.721     0    0.037   0.068     2.302   77.143   71.837
LGA    P   145_B      P   145_B     0.828     0    0.061   0.126     1.594   90.595   85.510
LGA    E   146_B      E   146_B     1.060     0    0.055   1.053     3.240   83.690   74.444
LGA    A   147_B      A   147_B     1.730     0    0.039   0.050     1.972   75.000   74.571
LGA    L   148_B      L   148_B     1.399     0    0.031   1.093     4.095   79.286   73.750
LGA    A   149_B      A   149_B     0.803     0    0.037   0.049     1.050   88.214   88.667
LGA    S   150_B      S   150_B     1.078     0    0.078   0.617     1.509   88.214   84.524
LGA    I   151_B      I   151_B     0.644     0    0.072   1.261     2.969   90.476   78.929
LGA    P   152_B      P   152_B     0.884     0    0.027   0.181     1.100   85.952   86.599
LGA    Q   153_B      Q   153_B     1.441     0    0.201   1.357     6.132   81.429   58.783
LGA    I   154_B      I   154_B     0.917     0    0.021   0.090     1.441   83.690   87.083
LGA    A   155_B      A   155_B     1.159     0    0.026   0.050     1.418   81.429   81.429
LGA    E   156_B      E   156_B     1.101     0    0.093   0.932     5.172   81.429   64.974
LGA    P   157_B      P   157_B     0.825     0    0.049   0.173     1.039   90.476   89.184
LGA    G   158_B      G   158_B     0.627     0    0.027   0.027     0.627   90.476   90.476
LGA    K   159_B      K   159_B     0.674     0    0.029   0.707     3.827   90.476   77.989
LGA    L   160_B      L   160_B     0.717     0    0.027   0.166     1.088   90.476   89.345
LGA    A   161_B      A   161_B     0.512     0    0.021   0.032     0.543   92.857   92.381
LGA    D   162_B      D   162_B     0.351     0    0.041   0.087     0.572   95.238   97.619
LGA    S   163_B      S   163_B     0.689     0    0.045   0.627     2.130   90.476   86.190
LGA    I   164_B      I   164_B     0.745     0    0.070   1.239     2.544   90.476   79.881
LGA    A   165_B      A   165_B     0.622     0    0.055   0.065     0.680   90.476   90.476
LGA    A   166_B      A   166_B     0.636     0    0.151   0.162     0.853   90.476   90.476
LGA    H   167_B      H   167_B     1.013     0    0.240   1.153     2.389   79.524   78.286
LGA    L   168_B      L   168_B     1.043     0    0.042   0.994     3.600   88.214   78.988
LGA    S   169_B      S   169_B     1.506     0    0.045   0.643     2.122   79.286   75.794
LGA    V   170_B      V   170_B     0.950     0    0.031   1.005     2.464   88.214   82.993
LGA    K   171_B      K   171_B     0.822     0    0.059   0.854     4.731   90.476   70.582
LGA    I   172_B      I   172_B     0.881     0    0.053   0.869     3.891   90.476   78.155
LGA    G   173_B      G   173_B     0.472     0    0.058   0.058     0.596   97.619   97.619
LGA    D   174_B      D   174_B     0.334     0    0.019   0.361     1.250   97.619   96.488
LGA    K   175_B      K   175_B     0.480     0    0.040   0.451     2.488   95.238   88.730
LGA    Q   176_B      Q   176_B     0.592     0    0.044   0.115     0.788   90.476   91.534
LGA    N   177_B      N   177_B     0.551     0    0.026   0.836     2.014   90.476   85.060
LGA    L   178_B      L   178_B     0.362     0    0.068   0.236     0.552   97.619   97.619
LGA    L   179_B      L   179_B     0.533     0    0.031   0.113     1.013   90.476   89.345
LGA    E   180_B      E   180_B     0.565     0    0.087   0.538     2.772   97.619   87.937
LGA    I   181_B      I   181_B     0.716     0    0.040   1.101     2.987   90.476   81.905
LGA    F   182_B      F   182_B     0.841     0    0.127   0.667     2.243   90.476   78.615
LGA    D   183_B      D   183_B     0.891     0    0.059   0.255     0.892   90.476   90.476
LGA    V   184_B      V   184_B     0.898     0    0.057   0.183     1.708   90.476   86.667
LGA    V   185_B      V   185_B     0.639     0    0.046   0.230     1.003   90.476   90.544
LGA    K   186_B      K   186_B     0.574     0    0.044   0.616     2.258   92.857   85.820
LGA    R   187_B      R   187_B     0.678     0    0.031   1.088     2.648   90.476   85.022
LGA    L   188_B      L   188_B     0.716     0    0.027   0.266     1.925   90.476   87.143
LGA    E   189_B      E   189_B     0.302     0    0.061   0.978     4.333  100.000   80.106
LGA    K   190_B      K   190_B     0.551     0    0.062   0.245     1.369   92.857   90.582
LGA    V   191_B      V   191_B     0.692     0    0.036   0.282     1.165   90.476   87.891
LGA    F   192_B      F   192_B     0.560     0    0.038   0.150     1.676   95.238   87.359
LGA    A   193_B      A   193_B     0.486     0    0.032   0.036     0.521   97.619   98.095
LGA    L   194_B      L   194_B     0.427     0    0.068   0.205     1.007   97.619   96.488
LGA    M   195_B      M   195_B     0.566     0    0.187   0.879     3.306   92.857   84.405
LGA    E   196_B      E   196_B     1.087     0    0.596   0.783     2.099   79.524   74.974
LGA    G   197_B      G   197_B     3.939     0    0.057   0.057     3.939   52.024   52.024
LGA    E   198_B      E   198_B     6.218     0    0.609   1.247    11.797   17.976    8.360
LGA    I   199_B      I   199_B     8.447     0    0.598   1.209    12.137    5.238    2.619
LGA    S   200_B      S   200_B     7.751     0    0.581   0.772    10.854    4.405    6.270
LGA    V   201_B      V   201_B    12.949     0    0.165   1.336    16.787    0.000    0.000
LGA    L   202_B      L   202_B    18.054     0    0.136   1.047    21.114    0.000    0.000
LGA    Q   203_B      Q   203_B    18.414     0    0.568   0.801    19.038    0.000    0.000
LGA    V   204_B      V   204_B    18.629     0    0.224   0.353    21.954    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      203     812    812  100.00    1557   1557  100.00               203
SUMMARY(RMSD_GDC):     2.664          2.755                  3.223           84.849   78.490

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  206  203    4.0    196    1.13    90.887    94.027    15.980

LGA_LOCAL      RMSD:   1.127  Number of atoms:  196  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.806  Number of assigned atoms:  203 
Std_ASGN_ATOMS RMSD:   2.664  Standard rmsd on all 203 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.727723 * X  +  -0.157918 * Y  +   0.667444 * Z  +   8.556159
  Y_new =  -0.195534 * X  +   0.884982 * Y  +   0.422580 * Z  + -29.914528
  Z_new =  -0.657409 * X  +  -0.438029 * Y  +   0.613143 * Z  + -14.243385 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.262493  0.717375 -0.620325   [DEG:  -15.0397   41.1026  -35.5420 ]
ZXZ:  2.135222  0.910764 -2.158542   [DEG:  122.3392   52.1829 -123.6754 ]
 
# END of job
