
#######################################################
#                                                     #
#                        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  123 (  960),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  960),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:H  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       2.96     2.96
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.84     3.11
  LCS_AVERAGE:     72.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.96     3.26
  LCS_AVERAGE:     68.66

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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_H     Q     1_B    101  104  123     65  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V     2_H     V     2_B    101  104  123     78  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Q     3_H     Q     3_B    101  104  123     76  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     L     4_H     L     4_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V     5_H     V     5_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     E     6_H     E     6_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S     7_H     S     7_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G     8_H     G     8_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G     9_H     G     9_B    101  104  123     47  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    10_H     G    10_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     L    11_H     L    11_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V    12_H     V    12_B    101  104  123     78  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Q    13_H     Q    13_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    14_H     A    14_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    15_H     G    15_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    16_H     G    16_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    17_H     S    17_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     L    18_H     L    18_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     R    19_H     R    19_B    101  104  123     78  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     L    20_H     L    20_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    21_H     S    21_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     C    22_H     C    22_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    23_H     A    23_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    24_H     A    24_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    25_H     S    25_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    26_H     G    26_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     F    27_H     F    27_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     I    28_H     I    28_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     F    29_H     F    29_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     H    30_H     H    30_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     N    31_H     N    31_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     F    32_H     F    32_B    101  104  123     78  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     D    33_H     D    33_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     M    34_H     M    34_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    35_H     G    35_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     W    36_H     W    36_B    101  104  123     67  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y    37_H     Y    37_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     R    38_H     R    38_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Q    39_H     Q    39_B    101  104  123     79  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    40_H     A    40_B    101  104  123     33  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     P    41_H     P    41_B    101  104  123     13   92  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    42_H     G    42_B    101  104  123      3   92  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     K    43_H     K    43_B    101  104  123      7  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     E    44_H     E    44_B    101  104  123     26  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     R    45_H     R    45_B    101  104  123     65  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     E    46_H     E    46_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     F    47_H     F    47_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V    48_H     V    48_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    49_H     A    49_B    101  104  123     58  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    50_H     A    50_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     I    51_H     I    51_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    52_H     S    52_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     D    53_H     D    53_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     N    54_H     N    54_B    101  104  123     11  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    55_H     G    55_B    101  104  123     79  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     R    56_H     R    56_B    101  104  123     10  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    57_H     S    57_B    101  104  123     56  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     T    58_H     T    58_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y    59_H     Y    59_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y    60_H     Y    60_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    61_H     A    61_B    101  104  123     25  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     D    62_H     D    62_B    101  104  123     75  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    63_H     S    63_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V    64_H     V    64_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     K    65_H     K    65_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G    66_H     G    66_B    101  104  123     79  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     R    67_H     R    67_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     F    68_H     F    68_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     T    69_H     T    69_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     I    70_H     I    70_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    71_H     S    71_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     R    72_H     R    72_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     D    73_H     D    73_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     N    74_H     N    74_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    75_H     A    75_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     K    76_H     K    76_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     N    77_H     N    77_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     T    78_H     T    78_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V    79_H     V    79_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y    80_H     Y    80_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     L    81_H     L    81_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Q    82_H     Q    82_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     M    83_H     M    83_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     N    84_H     N    84_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S    85_H     S    85_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     L    86_H     L    86_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     K    87_H     K    87_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     P    88_H     P    88_B    101  104  123     79  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     E    89_H     E    89_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     D    90_H     D    90_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     T    91_H     T    91_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    92_H     A    92_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V    93_H     V    93_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y    94_H     Y    94_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y    95_H     Y    95_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     C    96_H     C    96_B    101  104  123     38  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    97_H     A    97_B    101  104  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V    98_H     V    98_B    101  104  123     34  101  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     A    99_H     A    99_B    101  104  123      3    7   27  101  110  111  112  114  114  114  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     W   100_H     W   100_B    101  104  123      3    7   14   32   62   98  112  114  114  114  115  116  118  118  119  119  120  122  123  123 
LCS_GDT     L   101_H     L   101_B    101  104  123      4    7   19   44   90  109  112  114  114  114  115  116  118  118  119  119  120  122  123  123 
LCS_GDT     S   102_H     S   102_B      6  104  123      4    5    7   91  108  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     I   103_H     I   103_B      5  104  123      4    5    5    5    5    7    9  101  113  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     P   104_H     P   104_B      5  104  123      4    5    5    5    5    7   15   22   33   45   65   70   81   86   95  119  120  122  123  123 
LCS_GDT     D   105_H     D   105_B      5    6  123      4    5    5    5    5    7   15   22   33   45   58   70   81   86   91   98  109  121  123  123 
LCS_GDT     L   106_H     L   106_B      4    6  123      4    4    4   10   23   26   35   48   86  105  114  116  117  118  119  119  120  122  123  123 
LCS_GDT     A   107_H     A   107_B      4    5  123      4    4    4    4    7    9   11   22   42   55   65   70   81   90  113  119  120  122  123  123 
LCS_GDT     E   108_H     E   108_B      4    5  123      4    4    4    5    8   11   15   24   37   55   65   70   81  102  115  118  120  122  123  123 
LCS_GDT     W   109_H     W   109_B      3    4  123      3    7   19   26   61   81  106  112  113  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y   110_H     Y   110_B      3    7  123      3    3    8   14   24   43   85  106  113  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     D   111_H     D   111_B      3   13  123      3    7   19   47   66  104  110  112  113  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Y   112_H     Y   112_B     12   13  123     24  100  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     W   113_H     W   113_B     12   13  123     78  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G   114_H     G   114_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Q   115_H     Q   115_B     12   13  123     76  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     G   116_H     G   116_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     T   117_H     T   117_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     Q   118_H     Q   118_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V   119_H     V   119_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     T   120_H     T   120_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     V   121_H     V   121_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S   122_H     S   122_B     12   13  123     80  104  109  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_GDT     S   123_H     S   123_B     12   13  123      3   28   86  110  110  111  112  114  114  115  116  116  118  118  119  119  120  122  123  123 
LCS_AVERAGE  LCS_A:  80.49  (  68.66   72.83  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     80    104    109    110    110    111    112    114    114    115    116    116    118    118    119    119    120    122    123    123 
GDT PERCENT_AT  65.04  84.55  88.62  89.43  89.43  90.24  91.06  92.68  92.68  93.50  94.31  94.31  95.93  95.93  96.75  96.75  97.56  99.19 100.00 100.00
GDT RMS_LOCAL    0.32   0.45   0.53   0.58   0.58   0.66   0.77   1.03   1.03   1.50   1.54   1.34   1.70   1.70   1.95   1.95   2.61   2.72   2.96   2.96
GDT RMS_ALL_AT   3.20   3.20   3.22   3.21   3.21   3.23   3.21   3.25   3.25   3.05   3.06   3.16   3.09   3.09   3.04   3.04   2.96   2.96   2.96   2.96

# Checking swapping
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  Y    59_H      Y    59_B
#   possible swapping detected:  E    89_H      E    89_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  Y   112_H      Y   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.192     0    0.514   1.052     8.167   85.952   49.630
LGA    V     2_H      V     2_B     0.765     0    0.116   1.304     2.686   92.857   82.313
LGA    Q     3_H      Q     3_B     0.841     0    0.084   1.229     5.347   88.214   68.889
LGA    L     4_H      L     4_B     0.349     0    0.000   0.180     0.860   97.619   97.619
LGA    V     5_H      V     5_B     0.444     0    0.063   0.088     1.137  100.000   94.626
LGA    E     6_H      E     6_B     0.251     0    0.108   0.430     0.751  100.000   96.825
LGA    S     7_H      S     7_B     0.079     0    0.000   0.724     1.701   97.619   92.302
LGA    G     8_H      G     8_B     0.496     0    0.113   0.113     0.958   95.238   95.238
LGA    G     9_H      G     9_B     0.877     0    0.073   0.073     0.877   95.238   95.238
LGA    G    10_H      G    10_B     0.257     0    0.209   0.209     0.605   97.619   97.619
LGA    L    11_H      L    11_B     0.504     0    0.057   1.322     3.701   92.857   83.750
LGA    V    12_H      V    12_B     0.624     0    0.000   0.338     1.188   90.476   89.184
LGA    Q    13_H      Q    13_B     0.324     0    0.036   1.260     4.670   97.619   76.296
LGA    A    14_H      A    14_B     0.183     0    0.053   0.062     0.333  100.000  100.000
LGA    G    15_H      G    15_B     0.383     0    0.144   0.144     0.383  100.000  100.000
LGA    G    16_H      G    16_B     0.420     0    0.067   0.067     0.541   95.238   95.238
LGA    S    17_H      S    17_B     0.228     0    0.059   0.821     2.373   97.619   92.540
LGA    L    18_H      L    18_B     0.390     0    0.000   1.267     3.829  100.000   86.012
LGA    R    19_H      R    19_B     0.613     0    0.080   2.011     7.166   90.476   67.013
LGA    L    20_H      L    20_B     0.349     0    0.105   0.294     0.862  100.000   97.619
LGA    S    21_H      S    21_B     0.259     0    0.000   0.422     1.346  100.000   96.905
LGA    C    22_H      C    22_B     0.200     0    0.081   0.158     0.451  100.000  100.000
LGA    A    23_H      A    23_B     0.367     0    0.022   0.051     0.390  100.000  100.000
LGA    A    24_H      A    24_B     0.306     0    0.093   0.090     0.426  100.000  100.000
LGA    S    25_H      S    25_B     0.502     0    0.000   0.783     2.486   92.857   87.778
LGA    G    26_H      G    26_B     0.423     0    0.087   0.087     0.423  100.000  100.000
LGA    F    27_H      F    27_B     0.338     0    0.000   0.120     0.611  100.000   97.403
LGA    I    28_H      I    28_B     0.445     0    0.000   0.513     2.612   95.238   87.560
LGA    F    29_H      F    29_B     0.402     0    0.049   0.249     1.257  100.000   94.026
LGA    H    30_H      H    30_B     0.206     0    0.076   1.201     5.277  100.000   71.429
LGA    N    31_H      N    31_B     0.294     0    0.126   0.817     2.168   97.619   91.012
LGA    F    32_H      F    32_B     0.635     0    0.114   0.379     2.564   97.619   84.459
LGA    D    33_H      D    33_B     0.198     0    0.034   0.481     1.611  100.000   89.702
LGA    M    34_H      M    34_B     0.210     0    0.074   0.209     0.557  100.000   98.810
LGA    G    35_H      G    35_B     0.241     0    0.030   0.030     0.417  100.000  100.000
LGA    W    36_H      W    36_B     0.627     0    0.000   0.154     1.015   90.476   91.190
LGA    Y    37_H      Y    37_B     0.565     0    0.077   0.423     3.773   90.476   73.849
LGA    R    38_H      R    38_B     0.303     0    0.030   0.339     0.894  100.000   96.537
LGA    Q    39_H      Q    39_B     0.610     0    0.000   0.984     3.977   88.214   75.291
LGA    A    40_H      A    40_B     1.077     0    0.012   0.076     1.181   88.214   86.857
LGA    P    41_H      P    41_B     1.433     0    0.590   0.775     2.320   77.262   75.374
LGA    G    42_H      G    42_B     1.905     0    0.403   0.403     2.904   66.905   66.905
LGA    K    43_H      K    43_B     1.102     0    0.163   0.718     1.969   83.690   84.497
LGA    E    44_H      E    44_B     1.478     0    0.056   1.179     7.292   81.429   51.376
LGA    R    45_H      R    45_B     0.937     0    0.034   0.865     3.027   88.214   78.701
LGA    E    46_H      E    46_B     0.546     0    0.082   0.570     1.346   90.476   87.460
LGA    F    47_H      F    47_B     0.351     0    0.088   0.180     0.451  100.000  100.000
LGA    V    48_H      V    48_B     0.385     0    0.000   0.142     0.535  100.000   98.639
LGA    A    49_H      A    49_B     0.666     0    0.090   0.093     0.936   97.619   96.190
LGA    A    50_H      A    50_B     0.426     0    0.088   0.108     0.701   97.619   96.190
LGA    I    51_H      I    51_B     0.507     0    0.035   0.441     1.097   97.619   94.107
LGA    S    52_H      S    52_B     0.239     0    0.092   0.103     0.735  100.000   96.825
LGA    D    53_H      D    53_B     0.402     0    0.066   0.507     1.297   95.238   94.107
LGA    N    54_H      N    54_B     0.867     0    0.192   0.522     2.015   81.786   85.000
LGA    G    55_H      G    55_B     0.566     0    0.000   0.000     0.926   90.476   90.476
LGA    R    56_H      R    56_B     1.154     0    0.089   1.428     6.594   85.952   62.035
LGA    S    57_H      S    57_B     0.832     0    0.000   0.147     1.213   90.476   88.968
LGA    T    58_H      T    58_B     0.378     0    0.091   0.292     0.805   95.238   94.558
LGA    Y    59_H      Y    59_B     0.429     0    0.091   1.302     7.755  100.000   65.595
LGA    Y    60_H      Y    60_B     0.406     0    0.084   0.138     0.540   95.238   98.413
LGA    A    61_H      A    61_B     0.805     0    0.033   0.029     0.924   92.857   92.381
LGA    D    62_H      D    62_B     0.872     0    0.089   0.896     4.961   88.214   68.274
LGA    S    63_H      S    63_B     0.358     0    0.271   0.569     2.964   92.976   86.587
LGA    V    64_H      V    64_B     0.318     0    0.083   0.151     0.798  100.000   97.279
LGA    K    65_H      K    65_B     0.158     0    0.000   0.729     3.519  100.000   85.714
LGA    G    66_H      G    66_B     0.400     0    0.000   0.000     0.400  100.000  100.000
LGA    R    67_H      R    67_B     0.295     0    0.098   0.576     1.401   97.619   93.983
LGA    F    68_H      F    68_B     0.286     0    0.024   0.437     1.242  100.000   93.247
LGA    T    69_H      T    69_B     0.394     0    0.072   1.022     2.266   97.619   88.571
LGA    I    70_H      I    70_B     0.356     0    0.000   0.240     0.721  100.000   97.619
LGA    S    71_H      S    71_B     0.419     0    0.073   0.482     2.039   97.619   92.540
LGA    R    72_H      R    72_B     0.289     0    0.058   0.199     0.631  100.000   97.403
LGA    D    73_H      D    73_B     0.438     0    0.071   0.351     1.647  100.000   94.226
LGA    N    74_H      N    74_B     0.049     0    0.108   1.059     2.821   97.619   88.869
LGA    A    75_H      A    75_B     0.200     0    0.000   0.038     0.441  100.000  100.000
LGA    K    76_H      K    76_B     0.354     0    0.084   0.620     3.126  100.000   85.291
LGA    N    77_H      N    77_B     0.209     0    0.099   0.430     1.647  100.000   96.607
LGA    T    78_H      T    78_B     0.278     0    0.069   1.166     2.766  100.000   88.844
LGA    V    79_H      V    79_B     0.256     0    0.069   0.099     0.784  100.000   95.918
LGA    Y    80_H      Y    80_B     0.254     0    0.045   0.136     0.578  100.000   98.413
LGA    L    81_H      L    81_B     0.193     0    0.041   0.091     0.759  100.000   98.810
LGA    Q    82_H      Q    82_B     0.253     0    0.046   0.662     2.437  100.000   86.032
LGA    M    83_H      M    83_B     0.251     0    0.099   0.816     1.964  100.000   91.905
LGA    N    84_H      N    84_B     0.246     0    0.081   0.492     1.637  100.000   95.417
LGA    S    85_H      S    85_B     0.181     0    0.061   0.625     1.932  100.000   95.476
LGA    L    86_H      L    86_B     0.237     0    0.098   0.212     0.904  100.000   96.429
LGA    K    87_H      K    87_B     0.264     0    0.041   0.976     3.619  100.000   82.011
LGA    P    88_H      P    88_B     0.537     0    0.112   0.164     1.127   97.619   93.265
LGA    E    89_H      E    89_B     0.213     0    0.092   0.668     2.781   97.619   83.333
LGA    D    90_H      D    90_B     0.395     0    0.061   0.208     0.740  100.000   95.238
LGA    T    91_H      T    91_B     0.254     0    0.047   0.199     0.459  100.000  100.000
LGA    A    92_H      A    92_B     0.444     0    0.000   0.000     0.448  100.000  100.000
LGA    V    93_H      V    93_B     0.421     0    0.061   0.197     1.144  100.000   95.986
LGA    Y    94_H      Y    94_B     0.270     0    0.071   0.125     0.311  100.000  100.000
LGA    Y    95_H      Y    95_B     0.495     0    0.139   0.319     1.842   95.238   89.127
LGA    C    96_H      C    96_B     0.752     0    0.055   0.616     1.263   90.476   87.460
LGA    A    97_H      A    97_B     0.194     0    0.129   0.193     0.505  100.000   98.095
LGA    V    98_H      V    98_B     1.008     0    0.085   1.233     4.208   77.381   71.565
LGA    A    99_H      A    99_B     3.097     0    0.099   0.150     3.708   50.357   50.286
LGA    W   100_H      W   100_B     5.108     0    0.074   0.094     9.161   28.929   13.401
LGA    L   101_H      L   101_B     5.141     0    0.660   0.681    10.106   36.071   24.226
LGA    S   102_H      S   102_B     4.034     0    0.194   0.265     6.164   29.405   28.413
LGA    I   103_H      I   103_B     9.005     0    0.083   0.188    13.220    4.524    2.262
LGA    P   104_H      P   104_B    13.253     0    0.103   0.209    15.381    0.000    0.000
LGA    D   105_H      D   105_B    15.298     0    0.504   1.156    19.544    0.000    0.000
LGA    L   106_H      L   106_B    11.653     0    0.135   0.968    12.882    0.000    1.607
LGA    A   107_H      A   107_B    13.502     0    0.458   0.430    15.321    0.000    0.000
LGA    E   108_H      E   108_B    14.363     0    0.368   1.150    21.658    0.000    0.000
LGA    W   109_H      W   109_B     7.433     0    0.670   1.385     9.794    7.619   21.327
LGA    Y   110_H      Y   110_B     8.207     0    0.654   1.168    19.231    8.214    2.778
LGA    D   111_H      D   111_B     6.012     0    0.661   0.716     6.820   23.452   20.298
LGA    Y   112_H      Y   112_B     1.129     0    0.208   1.252     2.297   75.119   77.302
LGA    W   113_H      W   113_B     0.547     0    0.035   0.278     1.341   95.238   91.905
LGA    G   114_H      G   114_B     0.432     0    0.000   0.000     0.561   97.619   97.619
LGA    Q   115_H      Q   115_B     0.529     0    0.119   0.759     2.725   97.619   79.683
LGA    G   116_H      G   116_B     0.213     0    0.036   0.036     0.762   97.619   97.619
LGA    T   117_H      T   117_B     0.299     0    0.122   0.191     0.800  100.000   98.639
LGA    Q   118_H      Q   118_B     0.427     0    0.073   1.470     6.790  100.000   71.217
LGA    V   119_H      V   119_B     0.275     0    0.054   0.178     0.726  100.000   98.639
LGA    T   120_H      T   120_B     0.259     0    0.149   0.238     0.749   97.619   98.639
LGA    V   121_H      V   121_B     0.568     0    0.094   0.331     1.472   92.857   91.905
LGA    S   122_H      S   122_B     0.647     0    0.078   0.161     2.870   77.738   74.762
LGA    S   123_H      S   123_B     2.843     0    0.656   0.648     4.360   54.286   56.508

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     960    960  100.00               123
SUMMARY(RMSD_GDC):     2.956          2.902                  3.646           86.730   81.196

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.03    90.854    86.745    10.064

LGA_LOCAL      RMSD:   1.033  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.245  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   2.956  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.682231 * X  +  -0.395463 * Y  +   0.614955 * Z  + -315.754028
  Y_new =   0.583669 * X  +  -0.211971 * Y  +  -0.783836 * Z  + 170.133545
  Z_new =   0.440331 * X  +   0.893688 * Y  +   0.086206 * Z  + -543.596741 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.707695 -0.455967  1.474633   [DEG:   40.5479  -26.1250   84.4903 ]
ZXZ:  0.665246  1.484483  0.457800   [DEG:   38.1158   85.0546   26.2300 ]
 
# END of job
