
#######################################################
#                                                     #
#                        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       1.52     1.52
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123       1_B - 123_B       1.52     1.52
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       0.96     1.55
  LCS_AVERAGE:     71.50

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    103  123  123      4  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V     2_H     V     2_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q     3_H     Q     3_B    103  123  123     61  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L     4_H     L     4_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V     5_H     V     5_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E     6_H     E     6_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S     7_H     S     7_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G     8_H     G     8_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G     9_H     G     9_B    103  123  123     52  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    10_H     G    10_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    11_H     L    11_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    12_H     V    12_B    103  123  123     60  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    13_H     Q    13_B    103  123  123     52  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    14_H     A    14_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    15_H     G    15_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    16_H     G    16_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    17_H     S    17_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    18_H     L    18_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    19_H     R    19_B    103  123  123     55  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    20_H     L    20_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    21_H     S    21_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     C    22_H     C    22_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    23_H     A    23_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    24_H     A    24_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    25_H     S    25_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    26_H     G    26_B    103  123  123     13  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    27_H     F    27_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    28_H     I    28_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    29_H     F    29_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     H    30_H     H    30_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    31_H     N    31_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    32_H     F    32_B    103  123  123     64  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    33_H     D    33_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    34_H     M    34_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    35_H     G    35_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W    36_H     W    36_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    37_H     Y    37_B    103  123  123     74  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    38_H     R    38_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    39_H     Q    39_B    103  123  123     71  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    40_H     A    40_B    103  123  123     13   88  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P    41_H     P    41_B    103  123  123     13   33  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    42_H     G    42_B    103  123  123     15   98  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    43_H     K    43_B    103  123  123     54  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    44_H     E    44_B    103  123  123     74  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    45_H     R    45_B    103  123  123     21  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    46_H     E    46_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    47_H     F    47_B    103  123  123     74  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    48_H     V    48_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    49_H     A    49_B    103  123  123     23  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    50_H     A    50_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    51_H     I    51_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    52_H     S    52_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    53_H     D    53_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    54_H     N    54_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    55_H     G    55_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    56_H     R    56_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    57_H     S    57_B    103  123  123     63  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    58_H     T    58_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    59_H     Y    59_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    60_H     Y    60_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    61_H     A    61_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    62_H     D    62_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    63_H     S    63_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    64_H     V    64_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    65_H     K    65_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G    66_H     G    66_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    67_H     R    67_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     F    68_H     F    68_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    69_H     T    69_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I    70_H     I    70_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    71_H     S    71_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     R    72_H     R    72_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    73_H     D    73_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    74_H     N    74_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    75_H     A    75_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    76_H     K    76_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    77_H     N    77_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    78_H     T    78_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    79_H     V    79_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    80_H     Y    80_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    81_H     L    81_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q    82_H     Q    82_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     M    83_H     M    83_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     N    84_H     N    84_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S    85_H     S    85_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L    86_H     L    86_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     K    87_H     K    87_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P    88_H     P    88_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E    89_H     E    89_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D    90_H     D    90_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T    91_H     T    91_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    92_H     A    92_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    93_H     V    93_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    94_H     Y    94_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y    95_H     Y    95_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     C    96_H     C    96_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    97_H     A    97_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V    98_H     V    98_B    103  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A    99_H     A    99_B    103  123  123      5   33   71  111  113  115  116  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W   100_H     W   100_B    103  123  123      3   15  106  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   101_H     L   101_B    103  123  123      3   37  103  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   102_H     S   102_B    103  123  123      3    5    6   11   25   63  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     I   103_H     I   103_B    103  123  123      3    5    6   20   25   63   73  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     P   104_H     P   104_B      6  123  123      3    4    6   33   66  114  117  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   105_H     D   105_B      6  123  123      3   12   61  108  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     L   106_H     L   106_B      6  123  123      3    5    6    7   17   27   36   51   84  118  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     A   107_H     A   107_B      5  123  123      3    5    5    7   12   16   33   50   84  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     E   108_H     E   108_B      5  123  123      4    5    7   38  101  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W   109_H     W   109_B      7  123  123      4    5    7   38   52  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   110_H     Y   110_B     13  123  123      4   23  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     D   111_H     D   111_B     13  123  123      4   95  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Y   112_H     Y   112_B     13  123  123     21   99  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     W   113_H     W   113_B     13  123  123     14  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   114_H     G   114_B     13  123  123     14  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   115_H     Q   115_B     13  123  123     59  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     G   116_H     G   116_B     13  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   117_H     T   117_B     13  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     Q   118_H     Q   118_B     13  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   119_H     V   119_B     13  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     T   120_H     T   120_B     13  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     V   121_H     V   121_B     13  123  123     75  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   122_H     S   122_B     13  123  123     47  105  111  113  114  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_GDT     S   123_H     S   123_B      4  123  123      3   10   49   72  108  116  118  120  121  121  123  123  123  123  123  123  123  123  123  123 
LCS_AVERAGE  LCS_A:  90.50  (  71.50  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     75    105    111    113    114    116    118    120    121    121    123    123    123    123    123    123    123    123    123    123 
GDT PERCENT_AT  60.98  85.37  90.24  91.87  92.68  94.31  95.93  97.56  98.37  98.37 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.47   0.57   0.64   0.73   0.92   1.06   1.16   1.25   1.25   1.52   1.52   1.52   1.52   1.52   1.52   1.52   1.52   1.52   1.52
GDT RMS_ALL_AT   1.58   1.58   1.59   1.58   1.56   1.55   1.54   1.54   1.53   1.53   1.52   1.52   1.52   1.52   1.52   1.52   1.52   1.52   1.52   1.52

# Checking swapping
#   possible swapping detected:  F    32_H      F    32_B
#   possible swapping detected:  D    33_H      D    33_B
#   possible swapping detected:  Y    37_H      Y    37_B
#   possible swapping detected:  E    44_H      E    44_B
#   possible swapping detected:  F    47_H      F    47_B
#   possible swapping detected:  E    89_H      E    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_H      Q     1_B     1.365     0    0.664   1.114     9.687   71.905   41.058
LGA    V     2_H      V     2_B     0.599     0    0.019   0.263     1.567   95.238   89.388
LGA    Q     3_H      Q     3_B     0.642     0    0.160   1.237     5.071   95.238   76.931
LGA    L     4_H      L     4_B     0.367     0    0.027   0.123     0.952  100.000   97.619
LGA    V     5_H      V     5_B     0.553     0    0.067   0.081     0.890   90.476   91.837
LGA    E     6_H      E     6_B     0.588     0    0.088   0.274     1.380   90.595   90.529
LGA    S     7_H      S     7_B     0.456     0    0.019   0.103     0.699   97.619   95.238
LGA    G     8_H      G     8_B     0.455     0    0.038   0.038     0.698   97.619   97.619
LGA    G     9_H      G     9_B     0.716     0    0.063   0.063     0.716   97.619   97.619
LGA    G    10_H      G    10_B     0.172     0    0.146   0.146     0.358  100.000  100.000
LGA    L    11_H      L    11_B     0.380     0    0.027   0.611     1.445   97.619   94.167
LGA    V    12_H      V    12_B     0.753     0    0.030   0.157     1.141   92.857   89.252
LGA    Q    13_H      Q    13_B     0.653     0    0.061   1.074     3.601   88.214   81.217
LGA    A    14_H      A    14_B     0.293     0    0.052   0.057     0.414  100.000  100.000
LGA    G    15_H      G    15_B     0.348     0    0.156   0.156     1.091   92.976   92.976
LGA    G    16_H      G    16_B     0.543     0    0.055   0.055     0.543   97.619   97.619
LGA    S    17_H      S    17_B     0.338     0    0.030   0.759     2.626   97.619   91.270
LGA    L    18_H      L    18_B     0.395     0    0.006   1.244     3.600  100.000   87.083
LGA    R    19_H      R    19_B     0.720     0    0.024   1.420     4.931   92.857   75.584
LGA    L    20_H      L    20_B     0.549     0    0.069   0.336     0.958   95.238   95.238
LGA    S    21_H      S    21_B     0.244     0    0.052   0.759     2.426   97.619   92.540
LGA    C    22_H      C    22_B     0.269     0    0.051   0.115     0.467  100.000  100.000
LGA    A    23_H      A    23_B     0.137     0    0.043   0.051     0.680   97.619   98.095
LGA    A    24_H      A    24_B     0.219     0    0.033   0.035     0.289  100.000  100.000
LGA    S    25_H      S    25_B     0.467     0    0.028   0.228     1.156   95.238   92.143
LGA    G    26_H      G    26_B     1.194     0    0.052   0.052     1.194   88.214   88.214
LGA    F    27_H      F    27_B     0.567     0    0.030   0.174     0.794   95.238   93.939
LGA    I    28_H      I    28_B     0.463     0    0.139   1.302     3.038  100.000   82.798
LGA    F    29_H      F    29_B     0.669     0    0.033   0.141     0.986   90.476   90.476
LGA    H    30_H      H    30_B     0.647     0    0.094   1.175     3.979   92.857   79.333
LGA    N    31_H      N    31_B     0.289     0    0.037   0.698     2.315   97.619   89.762
LGA    F    32_H      F    32_B     0.551     0    0.049   0.632     2.694   97.619   86.190
LGA    D    33_H      D    33_B     0.097     0    0.043   0.634     2.004  100.000   91.012
LGA    M    34_H      M    34_B     0.259     0    0.047   0.222     0.886  100.000   97.619
LGA    G    35_H      G    35_B     0.456     0    0.048   0.048     0.459  100.000  100.000
LGA    W    36_H      W    36_B     0.686     0    0.010   0.122     0.900   90.476   93.878
LGA    Y    37_H      Y    37_B     0.820     0    0.084   0.184     1.221   88.214   88.214
LGA    R    38_H      R    38_B     0.268     0    0.043   1.029     3.066   97.619   90.303
LGA    Q    39_H      Q    39_B     0.502     0    0.051   0.265     1.654   92.857   86.614
LGA    A    40_H      A    40_B     1.173     0    0.059   0.066     1.237   83.690   83.238
LGA    P    41_H      P    41_B     1.551     0    0.035   0.370     1.907   79.286   76.531
LGA    G    42_H      G    42_B     1.321     0    0.253   0.253     1.917   79.286   79.286
LGA    K    43_H      K    43_B     0.777     0    0.059   0.781     3.905   90.476   80.582
LGA    E    44_H      E    44_B     0.582     0    0.055   0.465     1.965   90.476   85.503
LGA    R    45_H      R    45_B     0.722     0    0.142   1.444     4.667   90.476   73.766
LGA    E    46_H      E    46_B     0.599     0    0.039   0.641     2.010   90.476   84.656
LGA    F    47_H      F    47_B     0.932     0    0.050   0.077     1.856   90.476   80.823
LGA    V    48_H      V    48_B     0.738     0    0.063   0.092     0.795   90.476   91.837
LGA    A    49_H      A    49_B     1.064     0    0.023   0.033     1.089   88.214   86.857
LGA    A    50_H      A    50_B     0.798     0    0.080   0.086     1.036   88.214   86.857
LGA    I    51_H      I    51_B     0.347     0    0.050   0.410     0.740  100.000   96.429
LGA    S    52_H      S    52_B     0.128     0    0.097   0.161     0.645  100.000   98.413
LGA    D    53_H      D    53_B     0.382     0    0.064   0.211     1.184  100.000   95.298
LGA    N    54_H      N    54_B     0.387     0    0.342   1.192     5.116   88.810   72.381
LGA    G    55_H      G    55_B     0.356     0    0.055   0.055     0.485  100.000  100.000
LGA    R    56_H      R    56_B     0.555     0    0.084   0.713     4.462   92.976   71.732
LGA    S    57_H      S    57_B     0.560     0    0.102   0.530     1.190   97.619   92.222
LGA    T    58_H      T    58_B     0.214     0    0.065   0.246     0.892  100.000   98.639
LGA    Y    59_H      Y    59_B     0.774     0    0.037   1.247     9.677   90.476   53.294
LGA    Y    60_H      Y    60_B     0.777     0    0.009   0.099     0.906   90.476   90.476
LGA    A    61_H      A    61_B     0.487     0    0.101   0.121     0.775   95.238   96.190
LGA    D    62_H      D    62_B     0.381     0    0.106   0.274     0.883   97.619   97.619
LGA    S    63_H      S    63_B     0.292     0    0.152   0.545     2.179   97.619   92.540
LGA    V    64_H      V    64_B     0.343     0    0.038   0.047     0.364  100.000  100.000
LGA    K    65_H      K    65_B     0.433     0    0.060   0.815     3.233   97.619   89.153
LGA    G    66_H      G    66_B     0.455     0    0.169   0.169     0.729   97.619   97.619
LGA    R    67_H      R    67_B     0.435     0    0.081   0.508     1.321  100.000   96.580
LGA    F    68_H      F    68_B     0.191     0    0.093   0.272     0.932   97.619   97.403
LGA    T    69_H      T    69_B     0.161     0    0.021   0.040     0.602  100.000   97.279
LGA    I    70_H      I    70_B     0.212     0    0.082   0.207     0.505   97.619   98.810
LGA    S    71_H      S    71_B     0.207     0    0.041   0.247     1.008  100.000   96.905
LGA    R    72_H      R    72_B     0.255     0    0.041   0.974     2.368  100.000   93.593
LGA    D    73_H      D    73_B     0.231     0    0.058   0.347     1.150  100.000   96.488
LGA    N    74_H      N    74_B     0.412     0    0.061   1.093     2.515   97.619   87.857
LGA    A    75_H      A    75_B     0.270     0    0.105   0.112     0.990   95.238   96.190
LGA    K    76_H      K    76_B     0.232     0    0.043   0.643     1.344  100.000   93.757
LGA    N    77_H      N    77_B     0.372     0    0.132   0.486     1.470  100.000   92.976
LGA    T    78_H      T    78_B     0.454     0    0.069   1.142     2.503  100.000   88.844
LGA    V    79_H      V    79_B     0.465     0    0.036   0.095     1.107   97.619   93.265
LGA    Y    80_H      Y    80_B     0.403     0    0.011   0.082     0.760   95.238   96.032
LGA    L    81_H      L    81_B     0.257     0    0.049   0.113     0.536  100.000   98.810
LGA    Q    82_H      Q    82_B     0.346     0    0.025   0.798     2.498  100.000   89.048
LGA    M    83_H      M    83_B     0.454     0    0.037   0.759     1.830  100.000   91.905
LGA    N    84_H      N    84_B     0.448     0    0.032   0.248     0.681  100.000   96.429
LGA    S    85_H      S    85_B     0.527     0    0.043   0.633     2.055   92.857   87.778
LGA    L    86_H      L    86_B     0.273     0    0.113   0.451     1.574  100.000   94.226
LGA    K    87_H      K    87_B     0.569     0    0.026   0.869     2.127   95.238   84.815
LGA    P    88_H      P    88_B     0.752     0    0.125   0.350     1.107   95.238   91.905
LGA    E    89_H      E    89_B     0.489     0    0.030   0.635     2.386   97.619   85.873
LGA    D    90_H      D    90_B     0.332     0    0.030   0.412     1.685  100.000   95.417
LGA    T    91_H      T    91_B     0.356     0    0.072   0.109     0.550  100.000   98.639
LGA    A    92_H      A    92_B     0.235     0    0.045   0.059     0.296  100.000  100.000
LGA    V    93_H      V    93_B     0.273     0    0.016   0.136     0.853  100.000   98.639
LGA    Y    94_H      Y    94_B     0.233     0    0.059   0.139     0.811  100.000   96.825
LGA    Y    95_H      Y    95_B     0.583     0    0.092   0.177     1.214   90.476   92.103
LGA    C    96_H      C    96_B     0.591     0    0.094   0.202     0.848   90.476   90.476
LGA    A    97_H      A    97_B     0.369     0    0.087   0.141     0.469  100.000  100.000
LGA    V    98_H      V    98_B     0.793     0    0.574   1.023     3.452   84.048   78.503
LGA    A    99_H      A    99_B     3.154     0    0.172   0.259     4.145   65.357   59.714
LGA    W   100_H      W   100_B     2.092     0    0.311   1.083     3.362   70.952   66.871
LGA    L   101_H      L   101_B     2.234     0    0.627   0.609     5.616   61.667   50.655
LGA    S   102_H      S   102_B     4.494     0    0.277   0.302     6.834   31.667   32.540
LGA    I   103_H      I   103_B     5.177     0    0.078   0.138    10.035   42.857   25.833
LGA    P   104_H      P   104_B     4.401     0    0.089   0.390     7.697   45.714   30.476
LGA    D   105_H      D   105_B     3.632     0    0.607   0.911     8.881   43.452   27.857
LGA    L   106_H      L   106_B     6.886     0    0.524   0.539    11.898   11.310    6.250
LGA    A   107_H      A   107_B     7.439     0    0.034   0.036     7.942   11.905   10.952
LGA    E   108_H      E   108_B     4.037     0    0.217   0.572     5.005   43.929   39.630
LGA    W   109_H      W   109_B     3.539     0    0.096   1.806     5.351   50.238   41.259
LGA    Y   110_H      Y   110_B     1.296     0    0.051   1.438     7.537   75.119   53.492
LGA    D   111_H      D   111_B     1.561     0    0.143   0.244     2.332   72.976   71.905
LGA    Y   112_H      Y   112_B     1.652     0    0.196   0.278     3.147   69.286   82.024
LGA    W   113_H      W   113_B     1.174     0    0.119   1.181     7.800   81.548   46.837
LGA    G   114_H      G   114_B     0.994     0    0.024   0.024     1.047   88.214   88.214
LGA    Q   115_H      Q   115_B     0.935     0    0.033   1.376     7.225   90.476   60.476
LGA    G   116_H      G   116_B     0.441     0    0.081   0.081     0.877   95.238   95.238
LGA    T   117_H      T   117_B     0.449     0    0.094   0.122     0.477  100.000  100.000
LGA    Q   118_H      Q   118_B     0.513     0    0.105   1.050     3.071   92.857   79.577
LGA    V   119_H      V   119_B     0.341     0    0.079   0.151     0.795   97.619   97.279
LGA    T   120_H      T   120_B     0.359     0    0.101   0.252     0.736   97.619   97.279
LGA    V   121_H      V   121_B     0.501     0    0.088   0.250     1.245   97.619   93.265
LGA    S   122_H      S   122_B     0.665     0    0.044   0.497     3.182   76.310   76.587
LGA    S   123_H      S   123_B     4.124     0    0.609   0.610     5.542   36.786   40.238

# 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):     1.523          1.512                  2.180           89.416   84.123

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  123    4.0    120    1.16    93.699    96.206     9.525

LGA_LOCAL      RMSD:   1.160  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.538  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   1.523  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.571081 * X  +   0.803601 * Y  +   0.167606 * Z  + -26.335951
  Y_new =   0.793844 * X  +  -0.592610 * Y  +   0.136472 * Z  + -49.546570
  Z_new =   0.208994 * X  +   0.055116 * Y  +  -0.976363 * Z  + -22.950651 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.947177 -0.210546  3.085202   [DEG:   54.2693  -12.0634  176.7690 ]
ZXZ:  2.254163  2.923734  1.312945   [DEG:  129.1540  167.5176   75.2262 ]
 
# END of job
