
#######################################################
#                                                     #
#                        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       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      30_B - 101_B       0.97     1.97
  LONGEST_CONTINUOUS_SEGMENT:    72      31_B - 102_B       0.96     1.94
  LCS_AVERAGE:     39.78

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     30   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     17   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     65   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     24   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     17   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     17   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     64   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128      7   86  107  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3    6   16   73  114  120  121  122  123  125  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    7   13   24   77  120  124  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     72  128  128      3    6   47   96  116  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     72  128  128      3    3   21   53   86  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     72  128  128      4   50  107  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     72  128  128     64   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     72  128  128     63   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     72  128  128     32   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     72  128  128     23   90  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     72  128  128      9   87  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     72  128  128     51   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     72  128  128     33   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     72  128  128     32   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     72  128  128     49   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     72  128  128     54   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     72  128  128      3    8   16   66   93  111  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     72  128  128     25   74  107  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     72  128  128     22   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     72  128  128     61   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     72  128  128     49   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     72  128  128     65   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     72  128  128     56   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     72  128  128     56   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     72  128  128     62   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     72  128  128     64   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     72  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     72  128  128     27   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     72  128  128      3   61  108  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     72  128  128      4   29   87  114  117  118  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     10  128  128      3    4   10   18   34   94  116  120  122  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      5  128  128      3    5    6   11   13   16   28   36   52   86  116  123  127  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      5  128  128      4    9   17   34   88  112  117  120  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      5  128  128      4    5   13   40   76   96  117  120  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      7  128  128      4    5    7   13   31   68  104  120  122  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     21  128  128      4   60  107  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     21  128  128      3   89  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     21  128  128      4   77  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     21  128  128     22   84  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     21  128  128     30   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     21  128  128     20   92  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     21  128  128     50   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     21  128  128     51   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     21  128  128     67   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     21  128  128     52   97  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     21  128  128     17   96  110  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     21  128  128     17   87  109  117  117  120  121  122  123  125  126  127  127  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.93  (  39.78  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     97    110    117    117    120    121    122    123    125    126    127    127    128    128    128    128    128    128    128 
GDT PERCENT_AT  52.34  75.78  85.94  91.41  91.41  93.75  94.53  95.31  96.09  97.66  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   0.48   0.65   0.78   0.78   0.95   0.99   1.04   1.20   1.46   1.54   1.63   1.63   1.87   1.87   1.87   1.87   1.87   1.87   1.87
GDT RMS_ALL_AT   1.97   1.95   1.93   1.93   1.93   1.95   1.93   1.93   1.90   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.343     0    0.060   0.779     4.472   85.952   71.217
LGA    V     2_B      V     2_B     0.269     0    0.067   1.168     2.698   97.619   87.483
LGA    Q     3_B      Q     3_B     0.033     0    0.054   1.138     3.663  100.000   85.608
LGA    L     4_B      L     4_B     0.223     0    0.031   0.062     0.348  100.000  100.000
LGA    V     5_B      V     5_B     0.340     0    0.080   0.140     0.606   97.619   97.279
LGA    E     6_B      E     6_B     0.235     0    0.036   0.102     0.422  100.000  100.000
LGA    S     7_B      S     7_B     0.287     0    0.048   0.047     0.311  100.000  100.000
LGA    G     8_B      G     8_B     0.359     0    0.024   0.024     0.429  100.000  100.000
LGA    G     9_B      G     9_B     0.311     0    0.138   0.138     0.439  100.000  100.000
LGA    G    10_B      G    10_B     1.205     0    0.060   0.060     1.205   90.595   90.595
LGA    S    11_B      S    11_B     0.609     0    0.224   0.778     2.218   81.786   81.746
LGA    V    12_B      V    12_B     0.886     0    0.139   1.083     2.460   88.214   82.993
LGA    Q    13_B      Q    13_B     1.174     0    0.025   0.950     2.123   81.429   78.730
LGA    A    14_B      A    14_B     1.198     0    0.064   0.078     1.270   85.952   85.048
LGA    G    15_B      G    15_B     0.465     0    0.108   0.108     0.727   97.619   97.619
LGA    G    16_B      G    16_B     0.609     0    0.045   0.045     0.609   97.619   97.619
LGA    S    17_B      S    17_B     0.401     0    0.097   0.149     0.687   97.619   96.825
LGA    L    18_B      L    18_B     0.214     0    0.036   1.336     2.880  100.000   87.917
LGA    R    19_B      R    19_B     0.124     0    0.081   0.946     2.169   97.619   90.996
LGA    L    20_B      L    20_B     0.127     0    0.037   0.107     0.308  100.000  100.000
LGA    S    21_B      S    21_B     0.284     0    0.056   0.108     0.642   97.619   98.413
LGA    C    22_B      C    22_B     0.620     0    0.056   0.074     0.982   92.857   92.063
LGA    A    23_B      A    23_B     0.645     0    0.086   0.095     0.652   90.476   90.476
LGA    A    24_B      A    24_B     0.208     0    0.056   0.060     0.278  100.000  100.000
LGA    S    25_B      S    25_B     0.323     0    0.072   0.080     0.884   95.238   96.825
LGA    G    26_B      G    26_B     0.764     0    0.070   0.070     1.432   88.333   88.333
LGA    Y    27_B      Y    27_B     1.684     0    0.599   0.803     4.769   60.714   69.087
LGA    T    28_B      T    28_B     3.762     0    0.493   1.255     7.256   38.333   29.524
LGA    Y    29_B      Y    29_B     6.024     0    0.631   1.394    13.309   26.548    9.484
LGA    S    30_B      S    30_B     3.554     0    0.637   0.806     4.851   40.476   47.460
LGA    M    31_B      M    31_B     3.223     0    0.668   1.021     9.330   61.190   36.964
LGA    Y    32_B      Y    32_B     1.866     0    0.547   1.526    12.799   70.833   30.357
LGA    C    33_B      C    33_B     0.539     0    0.053   0.625     1.450   90.595   87.540
LGA    M    34_B      M    34_B     0.849     0    0.058   0.870     4.741   90.476   78.631
LGA    G    35_B      G    35_B     0.863     0    0.045   0.045     0.908   90.476   90.476
LGA    W    36_B      W    36_B     0.498     0    0.071   0.071     0.746   95.238   91.837
LGA    F    37_B      F    37_B     0.498     0    0.041   0.109     1.061  100.000   92.294
LGA    R    38_B      R    38_B     0.296     0    0.051   0.086     0.671  100.000   97.403
LGA    Q    39_B      Q    39_B     0.472     0    0.043   0.150     1.294   95.238   90.582
LGA    A    40_B      A    40_B     1.321     0    0.046   0.053     1.393   81.429   81.429
LGA    P    41_B      P    41_B     1.371     0    0.037   0.150     1.500   83.690   82.721
LGA    G    42_B      G    42_B     0.572     0    0.332   0.332     1.887   86.071   86.071
LGA    K    43_B      K    43_B     0.260     0    0.067   0.888     3.941  100.000   82.434
LGA    E    44_B      E    44_B     0.649     0    0.060   0.934     3.504   97.619   79.841
LGA    R    45_B      R    45_B     0.667     0    0.056   1.098     5.529   90.476   74.329
LGA    E    46_B      E    46_B     0.900     0    0.037   0.327     1.495   90.476   89.471
LGA    G    47_B      G    47_B     0.840     0    0.042   0.042     0.968   90.476   90.476
LGA    V    48_B      V    48_B     0.161     0    0.026   0.108     0.847  100.000   95.918
LGA    A    49_B      A    49_B     0.899     0    0.044   0.051     1.057   90.476   88.667
LGA    G    50_B      G    50_B     0.729     0    0.056   0.056     0.801   90.476   90.476
LGA    I    51_B      I    51_B     0.278     0    0.063   0.081     0.627   97.619   96.429
LGA    C    52_B      C    52_B     0.835     0    0.028   0.171     3.947   80.119   70.159
LGA    A    53_B      A    53_B     3.624     0    0.472   0.443     5.331   49.405   44.762
LGA    N    54_B      N    54_B     0.407     0    0.291   0.863     4.952   95.238   71.071
LGA    G    55_B      G    55_B     0.288     0    0.752   0.752     2.623   86.905   86.905
LGA    K    56_B      K    56_B     2.014     0    0.090   0.997     7.231   72.976   50.847
LGA    A    57_B      A    57_B     1.525     0    0.128   0.129     1.655   77.143   76.286
LGA    I    58_B      I    58_B     0.452     0    0.084   0.094     0.800   92.857   95.238
LGA    H    59_B      H    59_B     0.876     0    0.045   1.131     3.981   92.857   76.667
LGA    Y    60_B      Y    60_B     0.414     0    0.029   0.133     0.656   92.857   96.032
LGA    V    61_B      V    61_B     0.519     0    0.033   0.092     0.724   95.238   93.197
LGA    D    62_B      D    62_B     0.448     0    0.069   0.258     1.468   97.619   92.917
LGA    S    63_B      S    63_B     0.927     0    0.232   0.651     1.729   88.214   84.524
LGA    V    64_B      V    64_B     0.448     0    0.089   0.231     0.743   95.238   95.918
LGA    K    65_B      K    65_B     0.383     0    0.037   0.661     2.494   97.619   83.280
LGA    G    66_B      G    66_B     0.520     0    0.119   0.119     0.592   95.238   95.238
LGA    R    67_B      R    67_B     0.397     0    0.023   0.406     1.220   97.619   94.892
LGA    F    68_B      F    68_B     0.328     0    0.020   0.325     1.056  100.000   95.714
LGA    T    69_B      T    69_B     0.277     0    0.063   0.075     0.449  100.000  100.000
LGA    I    70_B      I    70_B     0.266     0    0.025   0.094     0.489  100.000  100.000
LGA    S    71_B      S    71_B     0.181     0    0.034   0.575     1.702  100.000   93.889
LGA    Q    72_B      Q    72_B     0.509     0    0.040   0.698     1.893   92.857   83.704
LGA    D    73_B      D    73_B     0.531     0    0.073   0.196     0.875   92.857   91.667
LGA    N    74_B      N    74_B     0.743     0    0.035   1.035     2.923   90.476   85.179
LGA    A    75_B      A    75_B     0.676     0    0.034   0.044     0.722   90.476   90.476
LGA    K    76_B      K    76_B     0.515     0    0.026   0.132     0.948   92.857   91.534
LGA    N    77_B      N    77_B     0.643     0    0.053   0.096     2.022   92.857   85.060
LGA    T    78_B      T    78_B     0.291     0    0.019   1.042     2.410  100.000   91.088
LGA    V    79_B      V    79_B     0.205     0    0.047   1.127     2.775  100.000   88.844
LGA    Y    80_B      Y    80_B     0.272     0    0.016   0.096     0.785  100.000   96.825
LGA    L    81_B      L    81_B     0.368     0    0.078   0.091     0.480  100.000  100.000
LGA    Q    82_B      Q    82_B     0.483     0    0.052   0.141     0.607   97.619   97.884
LGA    M    83_B      M    83_B     0.369     0    0.120   0.152     0.588  100.000   97.619
LGA    N    84_B      N    84_B     0.293     0    0.050   0.181     1.386  100.000   95.298
LGA    S    85_B      S    85_B     0.194     0    0.043   0.052     0.326  100.000  100.000
LGA    L    86_B      L    86_B     0.244     0    0.023   0.271     0.770  100.000   98.810
LGA    K    87_B      K    87_B     0.484     0    0.055   0.086     1.077   97.619   92.646
LGA    P    88_B      P    88_B     0.578     0    0.065   0.099     0.902   92.857   91.837
LGA    E    89_B      E    89_B     0.631     0    0.056   0.836     2.382   90.476   82.751
LGA    D    90_B      D    90_B     0.433     0    0.052   0.113     0.597  100.000   97.619
LGA    T    91_B      T    91_B     0.307     0    0.024   0.092     0.846  100.000   95.918
LGA    A    92_B      A    92_B     0.299     0    0.058   0.056     0.374  100.000  100.000
LGA    M    93_B      M    93_B     0.410     0    0.091   1.143     3.625   97.619   86.369
LGA    Y    94_B      Y    94_B     0.384     0    0.044   0.116     0.574  100.000   99.206
LGA    Y    95_B      Y    95_B     0.353     0    0.034   0.070     0.503  100.000   99.206
LGA    C    96_B      C    96_B     0.520     0    0.053   0.720     2.353   97.619   90.952
LGA    A    97_B      A    97_B     0.357     0    0.034   0.051     0.658   97.619   98.095
LGA    A    98_B      A    98_B     0.380     0    0.035   0.067     0.444  100.000  100.000
LGA    D    99_B      D    99_B     0.290     0    0.103   0.771     2.891  100.000   89.940
LGA    S   100_B      S   100_B     1.228     0    0.090   0.581     3.036   81.548   76.270
LGA    R   101_B      R   101_B     2.007     0    0.177   1.483     8.593   68.810   46.364
LGA    G   102_B      G   102_B     3.345     0    0.135   0.135     5.039   43.095   43.095
LGA    G   103_B      G   103_B     7.363     0    0.058   0.058     8.050   11.548   11.548
LGA    I   104_B      I   104_B    11.192     0    0.585   1.393    17.392    0.238    0.119
LGA    W   105_B      W   105_B     6.842     0    0.070   0.886     9.360   13.095   10.748
LGA    Y   106_B      Y   106_B     6.799     0    0.114   0.297    12.214   22.500    9.087
LGA    E   107_B      E   107_B     5.974     0    0.323   0.767     9.998   26.786   15.291
LGA    Q   108_B      Q   108_B     1.850     0    0.320   1.141     3.449   69.286   69.894
LGA    Q   109_B      Q   109_B     1.583     0    0.065   1.511     3.385   75.000   68.624
LGA    L   110_B      L   110_B     1.633     0    0.223   1.069     5.392   77.143   60.655
LGA    S   111_B      S   111_B     1.441     0    0.085   0.503     2.072   81.429   77.222
LGA    T   112_B      T   112_B     0.233     0    0.040   0.135     0.720   95.238   94.558
LGA    L   113_B      L   113_B     1.404     0    0.069   0.099     2.783   83.690   74.286
LGA    R   114_B      R   114_B     1.490     0    0.075   0.199     2.130   79.286   72.987
LGA    Y   115_B      Y   115_B     0.833     0    0.065   0.155     1.624   85.952   84.484
LGA    N   116_B      N   116_B     0.811     0    0.059   1.122     4.867   92.857   73.333
LGA    Y   117_B      Y   117_B     0.506     0    0.014   0.380     4.561   97.619   70.873
LGA    W   118_B      W   118_B     0.285     0    0.071   0.175     1.026  100.000   91.905
LGA    G   119_B      G   119_B     0.348     0    0.052   0.052     0.351  100.000  100.000
LGA    Q   120_B      Q   120_B     0.144     0    0.124   1.065     2.617   97.619   84.233
LGA    G   121_B      G   121_B     0.557     0    0.076   0.076     0.703   92.857   92.857
LGA    T   122_B      T   122_B     0.386     0    0.038   0.127     0.699  100.000   98.639
LGA    Q   123_B      Q   123_B     0.214     0    0.020   1.172     3.976  100.000   82.646
LGA    V   124_B      V   124_B     0.262     0    0.054   0.149     0.747  100.000   98.639
LGA    T   125_B      T   125_B     0.411     0    0.046   0.456     1.363   92.857   91.905
LGA    V   126_B      V   126_B     0.713     0    0.031   0.072     0.938   92.857   93.197
LGA    S   127_B      S   127_B     1.264     0    0.043   0.753     2.622   81.429   77.381
LGA    S   128_B      S   128_B     1.631     0    0.552   0.764     2.317   77.143   75.794

# 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):     1.867          1.806                  2.727           87.453   82.425

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    122    1.04    90.625    94.524    10.675

LGA_LOCAL      RMSD:   1.043  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.931  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.867  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.894347 * X  +   0.409149 * Y  +  -0.180946 * Z  +   9.727838
  Y_new =   0.167095 * X  +   0.069693 * Y  +   0.983475 * Z  + -42.649891
  Z_new =   0.414998 * X  +  -0.909802 * Y  +  -0.006037 * Z  +  61.834988 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.184705 -0.427940 -1.577432   [DEG:   10.5828  -24.5192  -90.3802 ]
ZXZ: -2.959641  1.576834  2.713644   [DEG: -169.5750   90.3459  155.4803 ]
 
# END of job
