
#######################################################
#                                                     #
#                        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       3.09     3.09
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.55     3.27
  LCS_AVERAGE:     71.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       1_B - 99_B        0.76     3.36
  LCS_AVERAGE:     65.99

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     99  103  123     26  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V     2_H     V     2_B     99  103  123     41  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Q     3_H     Q     3_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     L     4_H     L     4_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V     5_H     V     5_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     E     6_H     E     6_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S     7_H     S     7_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G     8_H     G     8_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G     9_H     G     9_B     99  103  123     55  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    10_H     G    10_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     L    11_H     L    11_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V    12_H     V    12_B     99  103  123     58  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Q    13_H     Q    13_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    14_H     A    14_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    15_H     G    15_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    16_H     G    16_B     99  103  123     58  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    17_H     S    17_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     L    18_H     L    18_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     R    19_H     R    19_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     L    20_H     L    20_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    21_H     S    21_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     C    22_H     C    22_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    23_H     A    23_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    24_H     A    24_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    25_H     S    25_B     99  103  123     51  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    26_H     G    26_B     99  103  123      8   87  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     F    27_H     F    27_B     99  103  123     44  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     I    28_H     I    28_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     F    29_H     F    29_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     H    30_H     H    30_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     N    31_H     N    31_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     F    32_H     F    32_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     D    33_H     D    33_B     99  103  123     43  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     M    34_H     M    34_B     99  103  123     33  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    35_H     G    35_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     W    36_H     W    36_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y    37_H     Y    37_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     R    38_H     R    38_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Q    39_H     Q    39_B     99  103  123     57  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    40_H     A    40_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     P    41_H     P    41_B     99  103  123      8  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    42_H     G    42_B     99  103  123     43  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     K    43_H     K    43_B     99  103  123     49  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     E    44_H     E    44_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     R    45_H     R    45_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     E    46_H     E    46_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     F    47_H     F    47_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V    48_H     V    48_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    49_H     A    49_B     99  103  123     42  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    50_H     A    50_B     99  103  123     47  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     I    51_H     I    51_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    52_H     S    52_B     99  103  123     53  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     D    53_H     D    53_B     99  103  123     36  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     N    54_H     N    54_B     99  103  123      3   56  104  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    55_H     G    55_B     99  103  123     12   90  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     R    56_H     R    56_B     99  103  123      5   87  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    57_H     S    57_B     99  103  123     43  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     T    58_H     T    58_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y    59_H     Y    59_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y    60_H     Y    60_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    61_H     A    61_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     D    62_H     D    62_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    63_H     S    63_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V    64_H     V    64_B     99  103  123     37  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     K    65_H     K    65_B     99  103  123      7   18   87  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G    66_H     G    66_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     R    67_H     R    67_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     F    68_H     F    68_B     99  103  123     54  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     T    69_H     T    69_B     99  103  123     58  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     I    70_H     I    70_B     99  103  123     58  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    71_H     S    71_B     99  103  123     58  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     R    72_H     R    72_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     D    73_H     D    73_B     99  103  123     59  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     N    74_H     N    74_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    75_H     A    75_B     99  103  123     60  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     K    76_H     K    76_B     99  103  123     53  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     N    77_H     N    77_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     T    78_H     T    78_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V    79_H     V    79_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y    80_H     Y    80_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     L    81_H     L    81_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Q    82_H     Q    82_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     M    83_H     M    83_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     N    84_H     N    84_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S    85_H     S    85_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     L    86_H     L    86_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     K    87_H     K    87_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     P    88_H     P    88_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     E    89_H     E    89_B     99  103  123     56  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     D    90_H     D    90_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     T    91_H     T    91_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    92_H     A    92_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V    93_H     V    93_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y    94_H     Y    94_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y    95_H     Y    95_B     99  103  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     C    96_H     C    96_B     99  103  123     41  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    97_H     A    97_B     99  103  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V    98_H     V    98_B     99  103  123     12   91  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     A    99_H     A    99_B     99  103  123      3    6   38   92  108  111  112  113  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     W   100_H     W   100_B      4  103  123      3    4    5    5   15   33   68   97  106  113  115  117  117  117  119  119  120  121  121  122 
LCS_GDT     L   101_H     L   101_B      4  103  123      3   47   83  105  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S   102_H     S   102_B      4  103  123      3   18   44   65   86  106  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     I   103_H     I   103_B      3  103  123      3    3    4   13   19   30   39   53   62   72  113  117  117  119  119  120  120  121  121  122 
LCS_GDT     P   104_H     P   104_B      3    6  123      3    3    4    4    6    7   11   20   25   37   43   57   68   87  104  114  115  121  121  122 
LCS_GDT     D   105_H     D   105_B      3    6  123      3    4    4    4    6    7    8   11   15   17   24   33   45   55   67   84  100  105  119  122 
LCS_GDT     L   106_H     L   106_B      3    6  123      3    4    4   11   18   24   32   51   62   72   81   97  113  119  119  120  120  121  121  122 
LCS_GDT     A   107_H     A   107_B      3    4  123      3    3    3    4    5    7   10   18   30   44   63   85  100  105  114  120  120  121  121  122 
LCS_GDT     E   108_H     E   108_B      3    4  123      3    3    5   11   18   30   42   56   87  106  114  117  117  119  119  120  120  121  121  122 
LCS_GDT     W   109_H     W   109_B      3    4  123      3    3   20   58   77  104  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y   110_H     Y   110_B      3   14  123      3    3   13   15   18   54   81  108  114  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     D   111_H     D   111_B      3   14  123      3   26   56   81  105  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Y   112_H     Y   112_B     12   14  123      4   76  105  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     W   113_H     W   113_B     12   14  123     30  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G   114_H     G   114_B     12   14  123     41  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Q   115_H     Q   115_B     12   14  123     33  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     G   116_H     G   116_B     12   14  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     T   117_H     T   117_B     12   14  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     Q   118_H     Q   118_B     12   14  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V   119_H     V   119_B     12   14  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     T   120_H     T   120_B     12   14  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     V   121_H     V   121_B     12   14  123     62  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S   122_H     S   122_B     12   14  123     61  100  106  108  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_GDT     S   123_H     S   123_B     12   14  123      6   33   72  104  110  111  112  114  115  115  116  117  117  119  119  120  120  121  121  122 
LCS_AVERAGE  LCS_A:  79.20  (  65.99   71.62  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     62    100    106    108    110    111    112    114    115    115    116    117    117    119    119    120    120    121    121    122 
GDT PERCENT_AT  50.41  81.30  86.18  87.80  89.43  90.24  91.06  92.68  93.50  93.50  94.31  95.12  95.12  96.75  96.75  97.56  97.56  98.37  98.37  99.19
GDT RMS_LOCAL    0.35   0.54   0.62   0.66   0.74   0.80   0.86   1.18   1.22   1.22   1.38   1.51   1.51   2.14   2.14   2.38   2.22   2.46   2.46   2.75
GDT RMS_ALL_AT   3.29   3.33   3.36   3.36   3.35   3.34   3.36   3.25   3.26   3.26   3.23   3.25   3.25   3.13   3.13   3.11   3.14   3.12   3.12   3.10

# Checking swapping
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  E    46_H      E    46_B
#   possible swapping detected:  D   105_H      D   105_B
#   possible swapping detected:  Y   110_H      Y   110_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.694     0    0.538   1.070     9.022   65.476   42.910
LGA    V     2_H      V     2_B     1.209     0    0.093   0.258     1.636   83.690   81.497
LGA    Q     3_H      Q     3_B     0.253     0    0.132   1.246     5.110   97.619   79.153
LGA    L     4_H      L     4_B     0.262     0    0.061   0.167     0.499  100.000  100.000
LGA    V     5_H      V     5_B     0.251     0    0.026   0.088     0.637  100.000   98.639
LGA    E     6_H      E     6_B     0.154     0    0.116   0.412     0.805   97.619   95.767
LGA    S     7_H      S     7_B     0.244     0    0.030   0.730     1.574   97.619   92.302
LGA    G     8_H      G     8_B     0.495     0    0.053   0.053     0.955   95.238   95.238
LGA    G     9_H      G     9_B     0.647     0    0.084   0.084     0.647   97.619   97.619
LGA    G    10_H      G    10_B     0.317     0    0.196   0.196     0.628   97.619   97.619
LGA    L    11_H      L    11_B     0.371     0    0.029   0.609     1.986  100.000   94.286
LGA    V    12_H      V    12_B     0.497     0    0.093   0.962     2.280   95.238   88.367
LGA    Q    13_H      Q    13_B     0.168     0    0.085   1.058     3.065   97.619   84.550
LGA    A    14_H      A    14_B     0.413     0    0.042   0.052     0.761  100.000   98.095
LGA    G    15_H      G    15_B     0.486     0    0.117   0.117     0.810   97.619   97.619
LGA    G    16_H      G    16_B     0.484     0    0.052   0.052     0.595   97.619   97.619
LGA    S    17_H      S    17_B     0.358     0    0.063   0.560     2.135   97.619   92.540
LGA    L    18_H      L    18_B     0.397     0    0.070   0.381     1.842  100.000   89.702
LGA    R    19_H      R    19_B     0.573     0    0.042   1.729     6.112   92.857   72.814
LGA    L    20_H      L    20_B     0.476     0    0.080   0.941     2.770   97.619   87.679
LGA    S    21_H      S    21_B     0.302     0    0.060   0.760     2.303  100.000   94.127
LGA    C    22_H      C    22_B     0.306     0    0.114   0.221     0.394  100.000  100.000
LGA    A    23_H      A    23_B     0.340     0    0.039   0.049     0.443  100.000  100.000
LGA    A    24_H      A    24_B     0.346     0    0.071   0.075     0.652  100.000   98.095
LGA    S    25_H      S    25_B     0.810     0    0.038   0.236     1.293   85.952   85.952
LGA    G    26_H      G    26_B     1.865     0    0.088   0.088     1.865   75.000   75.000
LGA    F    27_H      F    27_B     1.153     0    0.052   0.116     1.243   85.952   86.364
LGA    I    28_H      I    28_B     0.557     0    0.029   1.461     4.508   90.476   75.714
LGA    F    29_H      F    29_B     0.550     0    0.026   0.155     1.085   92.857   90.563
LGA    H    30_H      H    30_B     0.668     0    0.043   1.049     4.308   90.476   70.667
LGA    N    31_H      N    31_B     0.602     0    0.094   0.528     1.870   92.857   90.655
LGA    F    32_H      F    32_B     0.792     0    0.126   0.279     1.172   90.476   88.831
LGA    D    33_H      D    33_B     1.049     0    0.118   0.941     5.092   81.429   63.512
LGA    M    34_H      M    34_B     0.841     0    0.097   0.263     0.916   90.476   91.667
LGA    G    35_H      G    35_B     0.784     0    0.019   0.019     0.806   90.476   90.476
LGA    W    36_H      W    36_B     0.614     0    0.022   0.201     1.011   90.476   89.184
LGA    Y    37_H      Y    37_B     0.537     0    0.034   0.153     0.993   92.857   91.270
LGA    R    38_H      R    38_B     0.357     0    0.034   0.385     1.203  100.000   94.026
LGA    Q    39_H      Q    39_B     0.757     0    0.031   1.008     4.040   90.476   79.630
LGA    A    40_H      A    40_B     0.552     0    0.071   0.103     0.865   95.238   94.286
LGA    P    41_H      P    41_B     0.956     0    0.107   0.449     2.735   88.333   80.680
LGA    G    42_H      G    42_B     1.332     0    0.274   0.274     1.332   81.429   81.429
LGA    K    43_H      K    43_B     1.035     0    0.072   0.988     4.713   88.333   73.545
LGA    E    44_H      E    44_B     0.645     0    0.089   1.190     6.368   97.619   66.561
LGA    R    45_H      R    45_B     0.302     0    0.087   1.107     3.668   97.619   80.996
LGA    E    46_H      E    46_B     0.404     0    0.110   0.564     1.325   97.619   93.757
LGA    F    47_H      F    47_B     0.345     0    0.046   0.101     1.881   97.619   85.801
LGA    V    48_H      V    48_B     0.355     0    0.051   0.128     0.454  100.000  100.000
LGA    A    49_H      A    49_B     0.851     0    0.049   0.067     1.005   90.476   88.667
LGA    A    50_H      A    50_B     0.916     0    0.121   0.137     1.509   90.476   86.952
LGA    I    51_H      I    51_B     0.630     0    0.040   0.666     2.443   90.476   88.452
LGA    S    52_H      S    52_B     1.152     0    0.092   0.769     4.163   90.595   78.730
LGA    D    53_H      D    53_B     0.795     0    0.040   0.979     3.703   88.214   76.071
LGA    N    54_H      N    54_B     1.608     0    0.577   1.082     4.136   64.048   61.905
LGA    G    55_H      G    55_B     1.066     0    0.051   0.051     1.841   81.548   81.548
LGA    R    56_H      R    56_B     1.475     0    0.045   1.236     7.648   79.286   47.489
LGA    S    57_H      S    57_B     1.202     0    0.026   0.139     1.508   85.952   83.016
LGA    T    58_H      T    58_B     0.527     0    0.129   0.372     1.178   92.857   89.252
LGA    Y    59_H      Y    59_B     0.817     0    0.031   0.248     1.821   92.857   84.563
LGA    Y    60_H      Y    60_B     0.446     0    0.031   0.192     1.274   95.238   90.595
LGA    A    61_H      A    61_B     0.201     0    0.033   0.041     0.327  100.000  100.000
LGA    D    62_H      D    62_B     0.217     0    0.098   0.946     3.580   97.619   82.917
LGA    S    63_H      S    63_B     0.438     0    0.176   0.575     3.187   92.976   85.397
LGA    V    64_H      V    64_B     0.810     0    0.239   1.228     4.424   83.810   76.735
LGA    K    65_H      K    65_B     1.995     0    0.419   0.964    10.070   77.143   43.545
LGA    G    66_H      G    66_B     0.700     0    0.155   0.155     0.865   92.857   92.857
LGA    R    67_H      R    67_B     0.366     0    0.082   0.758     2.137   97.619   90.779
LGA    F    68_H      F    68_B     0.595     0    0.042   0.384     0.920   97.619   93.939
LGA    T    69_H      T    69_B     0.532     0    0.082   0.080     0.857   92.857   91.837
LGA    I    70_H      I    70_B     0.500     0    0.056   0.260     1.006   92.857   91.726
LGA    S    71_H      S    71_B     0.521     0    0.026   0.183     0.728   92.857   92.063
LGA    R    72_H      R    72_B     0.251     0    0.053   0.228     0.489  100.000  100.000
LGA    D    73_H      D    73_B     0.527     0    0.047   0.378     1.846   97.619   89.583
LGA    N    74_H      N    74_B     0.388     0    0.176   1.035     2.927   92.976   86.429
LGA    A    75_H      A    75_B     0.736     0    0.027   0.048     0.992   92.857   92.381
LGA    K    76_H      K    76_B     0.571     0    0.054   0.668     2.675   97.619   83.069
LGA    N    77_H      N    77_B     0.326     0    0.096   1.113     2.840  100.000   88.869
LGA    T    78_H      T    78_B     0.363     0    0.043   1.167     2.561  100.000   88.844
LGA    V    79_H      V    79_B     0.421     0    0.055   0.828     1.959  100.000   92.245
LGA    Y    80_H      Y    80_B     0.327     0    0.024   0.156     0.651  100.000   98.413
LGA    L    81_H      L    81_B     0.380     0    0.022   0.099     0.386  100.000  100.000
LGA    Q    82_H      Q    82_B     0.073     0    0.051   1.165     3.249  100.000   84.497
LGA    M    83_H      M    83_B     0.324     0    0.082   0.656     1.551  100.000   93.095
LGA    N    84_H      N    84_B     0.267     0    0.055   0.239     0.894  100.000   98.810
LGA    S    85_H      S    85_B     0.308     0    0.062   0.105     0.433  100.000  100.000
LGA    L    86_H      L    86_B     0.346     0    0.070   0.184     0.560   97.619   98.810
LGA    K    87_H      K    87_B     0.477     0    0.063   0.786     2.779  100.000   85.185
LGA    P    88_H      P    88_B     0.680     0    0.052   0.357     1.073   90.476   89.184
LGA    E    89_H      E    89_B     0.854     0    0.159   0.569     3.885   95.238   76.984
LGA    D    90_H      D    90_B     0.468     0    0.041   0.186     0.829   97.619   95.238
LGA    T    91_H      T    91_B     0.481     0    0.053   0.192     0.720   95.238   95.918
LGA    A    92_H      A    92_B     0.429     0    0.048   0.050     0.518   97.619   98.095
LGA    V    93_H      V    93_B     0.434     0    0.043   0.182     0.919  100.000   95.918
LGA    Y    94_H      Y    94_B     0.303     0    0.035   0.125     0.752  100.000   96.032
LGA    Y    95_H      Y    95_B     0.596     0    0.141   0.169     0.702   90.476   93.651
LGA    C    96_H      C    96_B     0.992     0    0.070   0.673     1.370   85.952   84.444
LGA    A    97_H      A    97_B     0.722     0    0.073   0.127     0.974   90.476   92.381
LGA    V    98_H      V    98_B     1.690     0    0.029   0.988     3.818   65.357   63.197
LGA    A    99_H      A    99_B     3.718     0    0.033   0.055     4.118   45.238   46.190
LGA    W   100_H      W   100_B     6.878     0    0.109   0.985    15.159   17.381    5.238
LGA    L   101_H      L   101_B     3.125     0    0.628   1.283     4.730   42.143   47.321
LGA    S   102_H      S   102_B     5.312     0    0.712   0.853     6.840   24.048   23.968
LGA    I   103_H      I   103_B     9.988     0    0.098   1.283    12.940    0.833    0.417
LGA    P   104_H      P   104_B    14.814     0    0.647   0.833    15.806    0.000    0.000
LGA    D   105_H      D   105_B    17.208     0    0.593   0.990    21.827    0.000    0.000
LGA    L   106_H      L   106_B    11.860     0    0.290   0.233    13.879    0.000    0.238
LGA    A   107_H      A   107_B    12.585     0    0.154   0.176    14.531    0.000    0.000
LGA    E   108_H      E   108_B    10.717     0    0.386   0.949    17.843    2.381    1.058
LGA    W   109_H      W   109_B     5.807     0    0.352   1.392    12.370   16.786    6.939
LGA    Y   110_H      Y   110_B     6.952     0    0.649   1.055    17.867   17.381    6.032
LGA    D   111_H      D   111_B     4.225     0    0.677   0.937     5.221   40.952   39.107
LGA    Y   112_H      Y   112_B     2.254     0    0.132   0.224     4.250   69.881   53.929
LGA    W   113_H      W   113_B     1.059     0    0.031   0.324     2.090   81.429   80.306
LGA    G   114_H      G   114_B     0.967     0    0.058   0.058     1.026   88.214   88.214
LGA    Q   115_H      Q   115_B     1.016     0    0.133   1.062     4.763   90.595   71.111
LGA    G   116_H      G   116_B     0.404     0    0.081   0.081     1.202   90.595   90.595
LGA    T   117_H      T   117_B     0.455     0    0.068   0.140     0.888  100.000   97.279
LGA    Q   118_H      Q   118_B     0.460     0    0.080   1.177     3.352  100.000   82.751
LGA    V   119_H      V   119_B     0.340     0    0.076   0.168     1.086  100.000   94.626
LGA    T   120_H      T   120_B     0.344     0    0.107   0.209     0.717   97.619   95.918
LGA    V   121_H      V   121_B     0.317     0    0.051   0.288     1.126  100.000   94.626
LGA    S   122_H      S   122_B     0.356     0    0.045   0.785     2.548   84.643   85.238
LGA    S   123_H      S   123_B     2.626     0    0.135   0.303     3.952   56.310   61.905

# 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):     3.092          3.028                  3.919           84.606   79.107

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    114    1.18    89.837    85.955     8.920

LGA_LOCAL      RMSD:   1.178  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.247  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.092  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.200435 * X  +  -0.823153 * Y  +   0.531268 * Z  +  38.380680
  Y_new =   0.720098 * X  +   0.491470 * Y  +   0.489813 * Z  +  -3.935032
  Z_new =  -0.664293 * X  +   0.284389 * Y  +   0.691258 * Z  +   9.588388 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.299323  0.726547  0.390301   [DEG:   74.4457   41.6281   22.3626 ]
ZXZ:  2.315618  0.807567 -1.166297   [DEG:  132.6751   46.2702  -66.8239 ]
 
# END of job
