
#######################################################
#                                                     #
#                        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       1.82     1.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.82     1.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      31_B - 101_B       0.92     1.92
  LONGEST_CONTINUOUS_SEGMENT:    71      32_B - 102_B       0.99     1.89
  LCS_AVERAGE:     38.79

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_B     Q     1_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     30   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     57   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     35   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     18   98  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     15   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     44   94  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128      6   77  106  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3    7   17   55  107  118  120  122  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  128  128      3    3    5    6    9   18   35   74  120  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      3   12   42   85  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     71  128  128      3    4    4   30  114  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     71  128  128      5   68  110  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     71  128  128     63   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     71  128  128     47   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     71  128  128     17   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     71  128  128     65   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     71  128  128     62   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     71  128  128     46   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     71  128  128     57   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     71  128  128     54   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     71  128  128      3    4   15   48  110  118  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     71  128  128     63   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     71  128  128     35   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     71  128  128      4   37   89  112  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     71  128  128     10   40  108  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     71  128  128     43   98  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     71  128  128     43   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     71  128  128     41   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     71  128  128     47   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     71  128  128     55   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     71  128  128     44   98  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     71  128  128     64   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     71  128  128     55   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     71  128  128     46   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     71  128  128     46   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     71  128  128     56   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     71  128  128     57   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     71  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     71  128  128     36   98  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     71  128  128     29   98  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     71  128  128      3   18   43   87  112  116  120  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      4  128  128      3    4    9   18   44   59  111  120  122  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      4  128  128      3    4    9   12   14   22   33   42   72  107  122  126  127  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  128  128      3   10   28   77  104  116  120  122  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4  128  128      3   10   37   72  108  116  120  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B     17  128  128      3   12   66  106  114  118  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     20  128  128      3    6   19   74  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128     16   94  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128      3   59  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     14   85  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     41   97  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128     21   93  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     55   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     41   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     64   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     67   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     62   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     57   99  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     24   95  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     18   95  112  115  116  119  121  123  125  126  126  127  127  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.60  (  38.79  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     67     99    112    115    116    119    121    123    125    126    126    127    127    128    128    128    128    128    128    128 
GDT PERCENT_AT  52.34  77.34  87.50  89.84  90.62  92.97  94.53  96.09  97.66  98.44  98.44  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.53   0.68   0.75   0.79   0.96   1.05   1.22   1.37   1.51   1.51   1.60   1.60   1.82   1.82   1.82   1.82   1.82   1.82   1.82
GDT RMS_ALL_AT   1.88   1.89   1.87   1.88   1.89   1.90   1.89   1.85   1.84   1.83   1.83   1.83   1.83   1.82   1.82   1.82   1.82   1.82   1.82   1.82

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.527     0    0.184   1.133     5.591   90.595   67.513
LGA    V     2_B      V     2_B     0.395     0    0.046   1.132     2.625   95.238   86.122
LGA    Q     3_B      Q     3_B     0.369     0    0.032   1.148     4.344  100.000   82.169
LGA    L     4_B      L     4_B     0.285     0    0.029   0.973     3.078  100.000   89.167
LGA    V     5_B      V     5_B     0.339     0    0.060   0.125     0.657   97.619   97.279
LGA    E     6_B      E     6_B     0.189     0    0.039   0.108     0.435  100.000  100.000
LGA    S     7_B      S     7_B     0.228     0    0.043   0.042     0.270  100.000  100.000
LGA    G     8_B      G     8_B     0.265     0    0.024   0.024     0.327  100.000  100.000
LGA    G     9_B      G     9_B     0.240     0    0.143   0.143     0.349  100.000  100.000
LGA    G    10_B      G    10_B     1.175     0    0.062   0.062     1.175   88.214   88.214
LGA    S    11_B      S    11_B     0.701     0    0.211   0.555     2.930   81.786   79.127
LGA    V    12_B      V    12_B     0.930     0    0.119   1.101     2.646   85.952   80.612
LGA    Q    13_B      Q    13_B     1.466     0    0.041   1.019     2.058   81.429   78.677
LGA    A    14_B      A    14_B     1.323     0    0.074   0.083     1.398   85.952   85.048
LGA    G    15_B      G    15_B     0.443     0    0.074   0.074     0.761   97.619   97.619
LGA    G    16_B      G    16_B     0.505     0    0.050   0.050     0.505   97.619   97.619
LGA    S    17_B      S    17_B     0.401     0    0.089   0.141     0.457  100.000  100.000
LGA    L    18_B      L    18_B     0.331     0    0.037   1.320     2.942  100.000   86.726
LGA    R    19_B      R    19_B     0.342     0    0.087   1.112     3.892  100.000   87.316
LGA    L    20_B      L    20_B     0.108     0    0.036   0.101     0.521  100.000   97.619
LGA    S    21_B      S    21_B     0.205     0    0.038   0.092     0.420  100.000  100.000
LGA    C    22_B      C    22_B     0.666     0    0.045   0.075     1.225   92.857   90.556
LGA    A    23_B      A    23_B     0.711     0    0.092   0.105     0.861   90.476   90.476
LGA    A    24_B      A    24_B     0.399     0    0.039   0.043     0.406  100.000  100.000
LGA    S    25_B      S    25_B     0.460     0    0.047   0.673     1.412   92.976   90.635
LGA    G    26_B      G    26_B     1.426     0    0.127   0.127     2.268   77.381   77.381
LGA    Y    27_B      Y    27_B     2.263     0    0.590   0.828     5.242   53.452   64.484
LGA    T    28_B      T    28_B     4.317     0    0.517   1.276     8.080   33.929   24.558
LGA    Y    29_B      Y    29_B     6.163     0    0.646   1.367    13.246   24.048    8.571
LGA    S    30_B      S    30_B     3.907     0    0.639   0.694     5.070   36.071   40.714
LGA    M    31_B      M    31_B     3.478     0    0.660   0.528    11.286   57.500   33.452
LGA    Y    32_B      Y    32_B     1.619     0    0.545   1.556    12.231   75.119   33.452
LGA    C    33_B      C    33_B     0.486     0    0.047   0.267     2.063   92.976   86.349
LGA    M    34_B      M    34_B     0.602     0    0.046   0.968     4.279   92.857   81.786
LGA    G    35_B      G    35_B     0.769     0    0.047   0.047     0.769   90.476   90.476
LGA    W    36_B      W    36_B     0.523     0    0.038   0.054     0.738   92.857   91.156
LGA    F    37_B      F    37_B     0.481     0    0.049   0.107     1.179  100.000   91.472
LGA    R    38_B      R    38_B     0.454     0    0.048   0.142     1.240   92.857   89.740
LGA    Q    39_B      Q    39_B     0.561     0    0.036   0.400     1.577   95.238   89.630
LGA    A    40_B      A    40_B     1.070     0    0.037   0.050     1.072   85.952   85.048
LGA    P    41_B      P    41_B     1.087     0    0.033   0.227     1.347   85.952   84.014
LGA    G    42_B      G    42_B     0.518     0    0.299   0.299     1.653   86.071   86.071
LGA    K    43_B      K    43_B     0.183     0    0.068   0.634     2.829  100.000   88.307
LGA    E    44_B      E    44_B     0.338     0    0.056   1.022     4.568  100.000   75.026
LGA    R    45_B      R    45_B     0.765     0    0.054   0.941     5.168   88.214   73.810
LGA    E    46_B      E    46_B     0.967     0    0.069   0.180     1.197   92.857   89.524
LGA    G    47_B      G    47_B     0.856     0    0.051   0.051     1.118   88.214   88.214
LGA    V    48_B      V    48_B     0.312     0    0.023   0.109     0.827   97.619   94.558
LGA    A    49_B      A    49_B     0.640     0    0.085   0.100     0.783   92.857   92.381
LGA    G    50_B      G    50_B     0.260     0    0.072   0.072     0.358  100.000  100.000
LGA    I    51_B      I    51_B     0.286     0    0.068   0.538     1.230   97.619   94.107
LGA    C    52_B      C    52_B     1.007     0    0.060   0.700     5.924   73.690   62.222
LGA    A    53_B      A    53_B     3.285     0    0.497   0.477     5.086   49.762   46.095
LGA    N    54_B      N    54_B     0.341     0    0.319   1.199     5.090   88.452   68.988
LGA    G    55_B      G    55_B     0.931     0    0.759   0.759     2.689   79.881   79.881
LGA    K    56_B      K    56_B     3.176     0    0.068   0.834     6.361   55.357   43.175
LGA    A    57_B      A    57_B     2.281     0    0.126   0.129     2.390   66.786   66.381
LGA    I    58_B      I    58_B     1.228     0    0.052   0.097     1.590   79.286   80.417
LGA    H    59_B      H    59_B     0.981     0    0.063   1.140     4.485   92.857   70.714
LGA    Y    60_B      Y    60_B     0.993     0    0.034   0.101     1.151   83.690   88.214
LGA    V    61_B      V    61_B     1.019     0    0.026   0.091     1.191   85.952   84.014
LGA    D    62_B      D    62_B     0.718     0    0.048   0.282     1.510   92.857   87.202
LGA    S    63_B      S    63_B     0.943     0    0.188   0.177     1.256   88.214   85.952
LGA    V    64_B      V    64_B     0.558     0    0.104   1.263     2.349   90.476   83.129
LGA    K    65_B      K    65_B     0.388     0    0.027   1.065     5.464   95.238   72.804
LGA    G    66_B      G    66_B     0.685     0    0.118   0.118     0.685   92.857   92.857
LGA    R    67_B      R    67_B     0.591     0    0.036   0.116     0.723   90.476   92.208
LGA    F    68_B      F    68_B     0.392     0    0.025   0.301     0.983  100.000   96.537
LGA    T    69_B      T    69_B     0.463     0    0.084   0.085     0.634   97.619   98.639
LGA    I    70_B      I    70_B     0.432     0    0.016   0.106     0.682  100.000   96.429
LGA    S    71_B      S    71_B     0.350     0    0.028   0.574     1.604  100.000   93.889
LGA    Q    72_B      Q    72_B     0.399     0    0.013   0.989     2.371  100.000   93.069
LGA    D    73_B      D    73_B     0.625     0    0.097   0.161     1.335   92.857   88.274
LGA    N    74_B      N    74_B     0.848     0    0.027   1.111     2.922   90.476   84.107
LGA    A    75_B      A    75_B     0.859     0    0.033   0.038     0.859   90.476   90.476
LGA    K    76_B      K    76_B     0.447     0    0.032   1.138     3.747   97.619   79.894
LGA    N    77_B      N    77_B     0.628     0    0.043   0.206     2.043   95.238   86.250
LGA    T    78_B      T    78_B     0.355     0    0.025   1.031     2.278  100.000   89.728
LGA    V    79_B      V    79_B     0.191     0    0.051   1.033     2.639  100.000   90.000
LGA    Y    80_B      Y    80_B     0.229     0    0.019   0.151     0.685  100.000   96.825
LGA    L    81_B      L    81_B     0.282     0    0.073   0.089     0.458  100.000  100.000
LGA    Q    82_B      Q    82_B     0.485     0    0.059   0.430     1.212   97.619   93.704
LGA    M    83_B      M    83_B     0.450     0    0.145   0.177     0.652   97.619   96.429
LGA    N    84_B      N    84_B     0.478     0    0.046   0.212     1.048   95.238   91.726
LGA    S    85_B      S    85_B     0.472     0    0.053   0.693     2.782  100.000   91.270
LGA    L    86_B      L    86_B     0.420     0    0.039   0.288     0.818   97.619   94.048
LGA    K    87_B      K    87_B     0.568     0    0.061   0.826     2.994   92.857   85.820
LGA    P    88_B      P    88_B     0.646     0    0.075   0.109     0.969   92.857   91.837
LGA    E    89_B      E    89_B     0.822     0    0.048   1.156     4.357   88.214   71.693
LGA    D    90_B      D    90_B     0.495     0    0.062   0.129     0.640   97.619   94.048
LGA    T    91_B      T    91_B     0.371     0    0.025   0.098     0.722  100.000   95.918
LGA    A    92_B      A    92_B     0.297     0    0.058   0.057     0.401  100.000  100.000
LGA    M    93_B      M    93_B     0.439     0    0.087   1.029     5.622   97.619   78.393
LGA    Y    94_B      Y    94_B     0.339     0    0.035   0.110     0.810  100.000   97.619
LGA    Y    95_B      Y    95_B     0.481     0    0.047   0.066     1.020  100.000   92.897
LGA    C    96_B      C    96_B     0.409     0    0.043   0.130     0.562   97.619   96.825
LGA    A    97_B      A    97_B     0.475     0    0.029   0.058     0.772   95.238   94.286
LGA    A    98_B      A    98_B     0.491     0    0.033   0.063     0.502   97.619   98.095
LGA    D    99_B      D    99_B     0.448     0    0.068   0.573     1.727   97.619   90.714
LGA    S   100_B      S   100_B     0.859     0    0.035   0.593     2.498   90.595   86.270
LGA    R   101_B      R   101_B     0.991     0    0.164   1.482     9.208   70.714   34.156
LGA    G   102_B      G   102_B     4.591     0    0.183   0.183     5.310   37.143   37.143
LGA    G   103_B      G   103_B     7.386     0    0.085   0.085     7.887   11.071   11.071
LGA    I   104_B      I   104_B    10.542     0    0.604   1.223    16.074    2.024    1.012
LGA    W   105_B      W   105_B     5.756     0    0.141   0.732     9.919   22.262   13.878
LGA    Y   106_B      Y   106_B     5.148     0    0.583   1.479    12.670   38.214   18.254
LGA    E   107_B      E   107_B     3.388     0    0.423   0.879     4.931   46.786   47.354
LGA    Q   108_B      Q   108_B     3.023     0    0.310   0.831     8.530   65.357   38.307
LGA    Q   109_B      Q   109_B     1.091     0    0.105   1.199     3.652   81.548   72.910
LGA    L   110_B      L   110_B     1.574     0    0.249   0.935     6.141   81.548   57.976
LGA    S   111_B      S   111_B     1.254     0    0.083   0.718     1.917   85.952   83.016
LGA    T   112_B      T   112_B     0.355     0    0.066   0.999     2.056   97.619   88.367
LGA    L   113_B      L   113_B     1.010     0    0.062   1.058     3.095   83.690   75.417
LGA    R   114_B      R   114_B     1.206     0    0.034   0.923     2.483   81.429   76.840
LGA    Y   115_B      Y   115_B     0.575     0    0.051   0.194     1.268   90.476   88.214
LGA    N   116_B      N   116_B     0.531     0    0.071   1.119     5.502   97.619   73.690
LGA    Y   117_B      Y   117_B     0.575     0    0.020   1.316    10.612   97.619   52.460
LGA    W   118_B      W   118_B     0.572     0    0.069   0.173     1.288   92.857   87.925
LGA    G   119_B      G   119_B     0.553     0    0.040   0.040     0.621   95.238   95.238
LGA    Q   120_B      Q   120_B     0.341     0    0.125   1.011     5.755   97.619   72.169
LGA    G   121_B      G   121_B     0.724     0    0.086   0.086     0.724   90.476   90.476
LGA    T   122_B      T   122_B     0.495     0    0.026   1.051     2.946   97.619   87.279
LGA    Q   123_B      Q   123_B     0.103     0    0.026   0.164     0.703  100.000   98.942
LGA    V   124_B      V   124_B     0.372     0    0.052   0.136     0.874  100.000   98.639
LGA    T   125_B      T   125_B     0.552     0    0.065   0.480     1.289   88.214   87.959
LGA    V   126_B      V   126_B     0.738     0    0.037   0.065     1.121   85.952   89.252
LGA    S   127_B      S   127_B     1.495     0    0.034   0.761     2.926   77.143   73.095
LGA    S   128_B      S   128_B     1.761     0    0.541   0.767     2.696   72.976   71.746

# 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):     1.823          1.782                  2.870           86.748   80.309

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    123    1.22    90.820    94.706     9.283

LGA_LOCAL      RMSD:   1.225  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.854  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.823  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.899122 * X  +   0.390970 * Y  +  -0.196780 * Z  +  11.665802
  Y_new =   0.224777 * X  +  -0.026676 * Y  +   0.974045 * Z  + -38.706158
  Z_new =   0.375573 * X  +  -0.920017 * Y  +  -0.111866 * Z  +  65.271553 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.244975 -0.385015 -1.691793   [DEG:   14.0360  -22.0598  -96.9326 ]
ZXZ: -2.942253  1.682897  2.754016   [DEG: -168.5787   96.4229  157.7935 ]
 
# END of job
