
#######################################################
#                                                     #
#                        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       1.25     1.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.25     1.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       0.99     1.29
  LCS_AVERAGE:     68.30

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    103  128  128     26  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B    103  128  128     18  106  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B    103  128  128     71  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B    103  128  128     71  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B    103  128  128     79  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B    103  128  128     69  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B    103  128  128      4    4    9   80  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B    103  128  128      3    4   32   60   87  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B    103  128  128      3    8   11  112  118  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B    103  128  128      5    6   33   87  117  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B    103  128  128     39  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B    103  128  128     80  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B    103  128  128     60  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B    103  128  128     52  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B    103  128  128      3    7   25   66  105  121  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B    103  128  128      3  101  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B    103  128  128      3    3   11   17   44   82  125  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B    103  128  128      8   33  111  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B    103  128  128     35  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B    103  128  128     76  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B    103  128  128     76  106  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B    103  128  128     60  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B    103  128  128     69  106  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B    103  128  128     77  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B    103  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B    103  128  128      3   86  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B     74  128  128      3    4   11   17   68   82  121  126  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     50  128  128      3    4   20   43  117  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      8  128  128      4    8   20   80  116  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      8  128  128      4   13   75  114  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     21  128  128      4   17   40  107  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     21  128  128      4   13  104  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     21  128  128      3  105  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     21  128  128     33  101  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     21  128  128     79  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     21  128  128     69  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     21  128  128     26  105  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     21  128  128     13  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     21  128  128     82  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     21  128  128     35  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     21  128  128     79  107  115  117  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  89.43  (  68.30  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     82    107    115    117    120    122    126    127    128    128    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  64.06  83.59  89.84  91.41  93.75  95.31  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.45   0.54   0.59   0.79   0.89   1.13   1.18   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25
GDT RMS_ALL_AT   1.29   1.28   1.28   1.27   1.26   1.26   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25   1.25

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.182     0    0.215   1.268     2.801   83.810   77.937
LGA    V     2_B      V     2_B     0.563     0    0.043   0.106     0.839   95.238   95.918
LGA    Q     3_B      Q     3_B     0.322     0    0.072   0.516     1.997  100.000   90.741
LGA    L     4_B      L     4_B     0.135     0    0.042   0.066     0.538  100.000   98.810
LGA    V     5_B      V     5_B     0.222     0    0.059   0.130     0.449  100.000  100.000
LGA    E     6_B      E     6_B     0.199     0    0.077   0.116     0.527   97.619   98.942
LGA    S     7_B      S     7_B     0.255     0    0.031   0.091     0.333  100.000  100.000
LGA    G     8_B      G     8_B     0.203     0    0.018   0.018     0.293  100.000  100.000
LGA    G     9_B      G     9_B     0.239     0    0.046   0.046     0.382  100.000  100.000
LGA    G    10_B      G    10_B     1.006     0    0.073   0.073     1.006   90.595   90.595
LGA    S    11_B      S    11_B     0.597     0    0.166   0.217     2.021   81.786   83.175
LGA    V    12_B      V    12_B     0.698     0    0.127   1.075     2.254   90.476   83.129
LGA    Q    13_B      Q    13_B     0.738     0    0.014   0.771     4.752   90.476   71.217
LGA    A    14_B      A    14_B     0.596     0    0.046   0.065     0.772   95.238   94.286
LGA    G    15_B      G    15_B     0.257     0    0.076   0.076     0.654   97.619   97.619
LGA    G    16_B      G    16_B     0.506     0    0.016   0.016     0.506   97.619   97.619
LGA    S    17_B      S    17_B     0.446     0    0.032   0.112     0.527  100.000   98.413
LGA    L    18_B      L    18_B     0.350     0    0.025   1.227     2.469  100.000   90.000
LGA    R    19_B      R    19_B     0.319     0    0.027   1.039     3.143  100.000   89.610
LGA    L    20_B      L    20_B     0.199     0    0.019   0.075     0.349  100.000  100.000
LGA    S    21_B      S    21_B     0.520     0    0.065   0.633     1.552   95.238   90.714
LGA    C    22_B      C    22_B     0.376     0    0.052   0.093     0.638   95.238   96.825
LGA    A    23_B      A    23_B     0.736     0    0.083   0.091     0.940   90.476   90.476
LGA    A    24_B      A    24_B     0.165     0    0.028   0.030     0.326  100.000  100.000
LGA    S    25_B      S    25_B     0.653     0    0.081   0.161     0.971   92.857   92.063
LGA    G    26_B      G    26_B     0.628     0    0.651   0.651     3.816   74.286   74.286
LGA    Y    27_B      Y    27_B     2.920     0    0.191   1.072    12.726   73.452   27.976
LGA    T    28_B      T    28_B     4.172     0    0.504   0.935     7.200   39.048   29.252
LGA    Y    29_B      Y    29_B     2.809     0    0.464   0.478    10.713   66.905   34.444
LGA    S    30_B      S    30_B     3.342     0    0.217   0.656     7.604   57.262   43.730
LGA    M    31_B      M    31_B     0.778     0    0.072   0.683     3.861   83.810   75.357
LGA    Y    32_B      Y    32_B     0.573     0    0.152   1.396     7.738   88.214   60.873
LGA    C    33_B      C    33_B     0.799     0    0.058   0.561     2.255   90.476   84.683
LGA    M    34_B      M    34_B     0.381     0    0.019   1.006     3.922  100.000   89.345
LGA    G    35_B      G    35_B     0.588     0    0.044   0.044     0.588   92.857   92.857
LGA    W    36_B      W    36_B     0.329     0    0.042   0.046     0.410  100.000  100.000
LGA    F    37_B      F    37_B     0.338     0    0.041   0.094     0.443  100.000  100.000
LGA    R    38_B      R    38_B     0.105     0    0.021   0.098     0.818  100.000   98.268
LGA    Q    39_B      Q    39_B     0.331     0    0.028   0.146     1.195  100.000   93.704
LGA    A    40_B      A    40_B     0.435     0    0.032   0.044     0.591   95.238   94.286
LGA    P    41_B      P    41_B     0.723     0    0.036   0.045     0.858   92.857   91.837
LGA    G    42_B      G    42_B     0.825     0    0.281   0.281     1.700   86.071   86.071
LGA    K    43_B      K    43_B     0.788     0    0.038   1.262     5.223   90.476   76.825
LGA    E    44_B      E    44_B     0.758     0    0.030   1.099     6.735   90.476   63.122
LGA    R    45_B      R    45_B     0.456     0    0.023   0.174     0.668   95.238   98.268
LGA    E    46_B      E    46_B     0.555     0    0.076   0.641     3.247   95.238   80.423
LGA    G    47_B      G    47_B     0.911     0    0.031   0.031     1.381   88.214   88.214
LGA    V    48_B      V    48_B     0.514     0    0.024   0.050     0.605   90.476   94.558
LGA    A    49_B      A    49_B     0.535     0    0.038   0.045     0.576   95.238   94.286
LGA    G    50_B      G    50_B     0.406     0    0.052   0.052     0.758   95.238   95.238
LGA    I    51_B      I    51_B     0.720     0    0.056   0.086     1.290   90.476   88.214
LGA    C    52_B      C    52_B     0.655     0    0.077   0.271     3.192   81.786   73.651
LGA    A    53_B      A    53_B     3.694     0    0.398   0.377     5.817   52.619   46.381
LGA    N    54_B      N    54_B     1.376     0    0.384   0.558     3.729   77.738   71.786
LGA    G    55_B      G    55_B     4.185     0    0.690   0.690     4.185   54.167   54.167
LGA    K    56_B      K    56_B     1.759     0    0.196   0.602     7.842   68.929   45.820
LGA    A    57_B      A    57_B     1.016     0    0.079   0.082     1.100   85.952   85.048
LGA    I    58_B      I    58_B     0.704     0    0.099   1.053     3.784   90.476   76.429
LGA    H    59_B      H    59_B     0.548     0    0.038   1.208     6.283   95.238   63.571
LGA    Y    60_B      Y    60_B     0.566     0    0.035   0.190     0.714   90.476   91.270
LGA    V    61_B      V    61_B     0.635     0    0.026   0.079     0.753   92.857   91.837
LGA    D    62_B      D    62_B     0.626     0    0.022   0.068     1.117   90.476   89.345
LGA    S    63_B      S    63_B     0.445     0    0.055   0.069     0.553  100.000   98.413
LGA    V    64_B      V    64_B     0.303     0    0.045   0.080     0.393  100.000  100.000
LGA    K    65_B      K    65_B     0.305     0    0.047   0.215     1.003  100.000   96.878
LGA    G    66_B      G    66_B     0.344     0    0.037   0.037     0.388  100.000  100.000
LGA    R    67_B      R    67_B     0.381     0    0.017   0.109     0.401  100.000  100.000
LGA    F    68_B      F    68_B     0.372     0    0.035   0.119     0.420  100.000  100.000
LGA    T    69_B      T    69_B     0.336     0    0.037   0.081     0.417  100.000  100.000
LGA    I    70_B      I    70_B     0.274     0    0.015   0.084     0.391  100.000  100.000
LGA    S    71_B      S    71_B     0.184     0    0.031   0.065     0.350  100.000  100.000
LGA    Q    72_B      Q    72_B     0.252     0    0.000   0.189     1.196  100.000   94.815
LGA    D    73_B      D    73_B     0.336     0    0.053   0.236     1.218  100.000   94.107
LGA    N    74_B      N    74_B     0.853     0    0.020   0.542     1.957   90.476   84.881
LGA    A    75_B      A    75_B     0.985     0    0.020   0.019     1.085   90.476   88.667
LGA    K    76_B      K    76_B     0.590     0    0.087   0.524     1.442   95.238   91.640
LGA    N    77_B      N    77_B     0.571     0    0.060   0.618     1.903   90.476   88.274
LGA    T    78_B      T    78_B     0.387     0    0.074   0.148     0.568   97.619   98.639
LGA    V    79_B      V    79_B     0.306     0    0.034   0.053     0.389  100.000  100.000
LGA    Y    80_B      Y    80_B     0.167     0    0.025   0.083     0.314  100.000  100.000
LGA    L    81_B      L    81_B     0.245     0    0.056   0.064     0.347  100.000  100.000
LGA    Q    82_B      Q    82_B     0.245     0    0.055   0.152     0.566  100.000   98.942
LGA    M    83_B      M    83_B     0.396     0    0.093   0.142     0.658  100.000   96.429
LGA    N    84_B      N    84_B     0.280     0    0.029   0.151     0.895  100.000   96.429
LGA    S    85_B      S    85_B     0.248     0    0.015   0.052     0.444  100.000  100.000
LGA    L    86_B      L    86_B     0.235     0    0.044   0.037     0.300  100.000  100.000
LGA    K    87_B      K    87_B     0.258     0    0.017   0.129     1.021  100.000   96.878
LGA    P    88_B      P    88_B     0.238     0    0.055   0.076     0.510   97.619   98.639
LGA    E    89_B      E    89_B     0.307     0    0.044   1.146     4.283  100.000   76.190
LGA    D    90_B      D    90_B     0.158     0    0.016   0.119     0.379  100.000  100.000
LGA    T    91_B      T    91_B     0.164     0    0.087   0.152     0.577   97.619   97.279
LGA    A    92_B      A    92_B     0.058     0    0.022   0.023     0.101  100.000  100.000
LGA    M    93_B      M    93_B     0.122     0    0.046   0.714     2.665  100.000   91.250
LGA    Y    94_B      Y    94_B     0.150     0    0.032   0.050     0.171  100.000  100.000
LGA    Y    95_B      Y    95_B     0.173     0    0.021   0.133     0.404  100.000  100.000
LGA    C    96_B      C    96_B     0.360     0    0.047   0.084     0.691  100.000   98.413
LGA    A    97_B      A    97_B     0.190     0    0.023   0.031     0.317  100.000  100.000
LGA    A    98_B      A    98_B     0.267     0    0.107   0.155     0.450  100.000  100.000
LGA    D    99_B      D    99_B     0.992     0    0.031   0.787     2.907   95.238   80.179
LGA    S   100_B      S   100_B     1.133     0    0.041   0.213     1.789   83.810   80.159
LGA    R   101_B      R   101_B     0.463     0    0.102   1.270     8.441  100.000   59.307
LGA    G   102_B      G   102_B     0.245     0    0.085   0.085     0.643   97.619   97.619
LGA    G   103_B      G   103_B     1.513     0    0.211   0.211     2.964   71.071   71.071
LGA    I   104_B      I   104_B     4.747     0    0.604   0.778    10.625   43.810   23.869
LGA    W   105_B      W   105_B     3.558     0    0.285   1.489     6.578   46.667   28.299
LGA    Y   106_B      Y   106_B     4.489     0    0.644   0.790     7.921   33.929   19.563
LGA    E   107_B      E   107_B     3.265     0    0.039   0.138     3.335   50.000   50.794
LGA    Q   108_B      Q   108_B     3.499     0    0.270   1.169    11.261   61.548   33.069
LGA    Q   109_B      Q   109_B     1.941     0    0.012   1.328     5.296   77.381   62.857
LGA    L   110_B      L   110_B     1.226     0    0.231   1.363     6.847   88.333   63.036
LGA    S   111_B      S   111_B     1.254     0    0.124   0.469     1.717   88.214   84.524
LGA    T   112_B      T   112_B     0.341     0    0.048   0.061     0.864   97.619   97.279
LGA    L   113_B      L   113_B     0.974     0    0.114   0.185     1.913   90.476   82.738
LGA    R   114_B      R   114_B     1.261     0    0.029   0.945     5.303   83.690   64.113
LGA    Y   115_B      Y   115_B     0.367     0    0.021   0.134     1.036   92.857   92.897
LGA    N   116_B      N   116_B     1.110     0    0.000   0.991     4.020   85.952   76.131
LGA    Y   117_B      Y   117_B     0.501     0    0.027   0.187     1.853   92.857   85.357
LGA    W   118_B      W   118_B     0.284     0    0.055   0.105     0.465  100.000  100.000
LGA    G   119_B      G   119_B     0.404     0    0.022   0.022     0.404  100.000  100.000
LGA    Q   120_B      Q   120_B     0.319     0    0.041   0.547     1.303   97.619   93.757
LGA    G   121_B      G   121_B     0.361     0    0.054   0.054     0.494  100.000  100.000
LGA    T   122_B      T   122_B     0.264     0    0.029   0.053     0.383  100.000  100.000
LGA    Q   123_B      Q   123_B     0.066     0    0.058   0.071     0.276  100.000  100.000
LGA    V   124_B      V   124_B     0.230     0    0.033   0.103     0.636  100.000   98.639
LGA    T   125_B      T   125_B     0.257     0    0.064   0.436     1.501   97.619   93.401
LGA    V   126_B      V   126_B     0.410     0    0.006   0.020     0.665   95.238   97.279
LGA    S   127_B      S   127_B     0.968     0    0.068   0.101     2.102   90.476   84.683
LGA    S   128_B      S   128_B     0.684     0    0.176   0.768     2.862   90.595   85.000

# 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):     1.252          1.191                  2.262           91.084   85.671

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    127    1.18    93.555    96.515     9.884

LGA_LOCAL      RMSD:   1.185  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.253  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.252  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.968079 * X  +   0.176532 * Y  +  -0.177931 * Z  +  38.393272
  Y_new =   0.006746 * X  +   0.691284 * Y  +   0.722552 * Z  + -102.703362
  Z_new =   0.250555 * X  +  -0.700687 * Y  +   0.668027 * Z  +  71.137146 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.006968 -0.253253 -0.809256   [DEG:    0.3993  -14.5103  -46.3670 ]
ZXZ: -2.900142  0.839243  2.798177   [DEG: -166.1659   48.0851  160.3237 ]
 
# END of job
