
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  128 (  964),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A    125  125  125     36   79  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A    125  125  125      5   68  114  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A    125  125  125     46  109  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A    125  125  125     46  106  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A    125  125  125     59  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A    125  125  125     19  109  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A    125  125  125     63  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    125  125  125     59  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A    125  125  125     59  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A    125  125  125     68  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A    125  125  125     71  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A    125  125  125     61  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    125  125  125     61  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A    125  125  125     64  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    125  125  125     69  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A    125  125  125     63  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A    125  125  125      5  106  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A    125  125  125      4   89  118  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A    125  125  125     40  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A    125  125  125     64  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A    125  125  125     64  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A    125  125  125     63  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A    125  125  125     59  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A    125  125  125     71  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    125  125  125     69  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A    125  125  125     69  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A    125  125  125     38  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A    125  125  125     38  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A    125  125  125     19   94  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A    125  125  125      9   87  120  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A    125  125  125     36  106  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A    125  125  125     36  106  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A    125  125  125     57  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A    125  125  125     57  110  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A    125  125  125     62  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A    125  125  125      5  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A    125  125  125      3   88  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A    125  125  125     10  106  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A    125  125  125     55  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A    125  125  125     59  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A    125  125  125     68  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A    125  125  125     72  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A    125  125  125     65  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A    125  125  125     73  111  121  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     73    111    121    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  58.40  88.80  96.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.53   0.63   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70
GDT RMS_ALL_AT   0.78   0.73   0.71   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    89_A      F    89_A
#   possible swapping detected:  Y    91_A      Y    91_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  F   124_A      F   124_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     1.735     0    0.082   1.030     2.860   70.833   66.905
LGA    K     6_A      K     6_A     2.198     0    0.130   0.648     3.333   70.833   64.127
LGA    C     7_A      C     7_A     1.197     0    0.035   0.701     2.261   81.429   80.159
LGA    T     8_A      T     8_A     1.248     0    0.021   0.044     1.763   81.429   80.204
LGA    F     9_A      F     9_A     0.746     0    0.050   0.140     0.936   90.476   90.476
LGA    S    10_A      S    10_A     1.108     0    0.059   0.606     1.959   88.214   84.524
LGA    A    11_A      A    11_A     0.479     0    0.071   0.074     0.695   92.857   94.286
LGA    P    12_A      P    12_A     0.741     0    0.028   0.269     1.040   90.476   89.184
LGA    S    13_A      S    13_A     0.632     0    0.031   0.140     0.660   90.476   92.063
LGA    H    14_A      H    14_A     0.398     0    0.007   0.080     0.537   97.619   99.048
LGA    S    15_A      S    15_A     0.638     0    0.066   0.171     0.969   90.476   90.476
LGA    T    16_A      T    16_A     0.886     0    0.032   0.123     1.049   90.476   86.599
LGA    S    17_A      S    17_A     0.693     0    0.020   0.026     0.755   90.476   90.476
LGA    L    18_A      L    18_A     0.417     0    0.023   0.244     0.960   95.238   96.429
LGA    L    19_A      L    19_A     0.582     0    0.014   0.048     0.667   90.476   90.476
LGA    Q    20_A      Q    20_A     0.769     0    0.018   0.717     2.921   90.476   81.852
LGA    G    21_A      G    21_A     0.680     0    0.046   0.046     0.701   90.476   90.476
LGA    L    22_A      L    22_A     0.570     0    0.010   0.070     0.652   90.476   92.857
LGA    A    23_A      A    23_A     0.670     0    0.009   0.025     0.756   90.476   90.476
LGA    T    24_A      T    24_A     0.840     0    0.080   1.102     3.249   90.476   82.177
LGA    L    25_A      L    25_A     0.820     0    0.027   0.140     1.146   90.476   89.345
LGA    R    26_A      R    26_A     0.664     0    0.025   0.285     1.031   90.476   92.251
LGA    A    27_A      A    27_A     0.908     0    0.018   0.036     1.015   88.214   88.667
LGA    Q    28_A      Q    28_A     1.090     0    0.028   1.000     3.219   83.690   80.952
LGA    G    29_A      G    29_A     1.108     0    0.023   0.023     1.151   81.429   81.429
LGA    Q    30_A      Q    30_A     0.866     0    0.027   0.811     3.108   90.476   80.159
LGA    L    31_A      L    31_A     0.681     0    0.026   0.110     0.997   90.476   90.476
LGA    L    32_A      L    32_A     0.456     0    0.059   0.139     0.559   97.619   95.238
LGA    D    33_A      D    33_A     0.534     0    0.029   0.053     0.638   92.857   96.429
LGA    V    34_A      V    34_A     0.216     0    0.047   0.086     0.422  100.000  100.000
LGA    V    35_A      V    35_A     0.141     0    0.050   0.059     0.421  100.000  100.000
LGA    L    36_A      L    36_A     0.315     0    0.039   0.091     0.429  100.000  100.000
LGA    T    37_A      T    37_A     0.284     0    0.042   0.118     0.425  100.000  100.000
LGA    I    38_A      I    38_A     0.481     0    0.039   0.057     0.719   95.238   97.619
LGA    N    39_A      N    39_A     1.357     0    0.045   0.168     1.609   79.286   80.357
LGA    R    40_A      R    40_A     1.693     0    0.033   1.312     5.520   77.143   61.991
LGA    E    41_A      E    41_A     0.836     0    0.062   0.668     1.710   90.595   85.608
LGA    A    42_A      A    42_A     0.190     0    0.018   0.030     0.709   97.619   98.095
LGA    F    43_A      F    43_A     0.493     0    0.028   0.084     1.168  100.000   92.294
LGA    P    44_A      P    44_A     0.582     0    0.053   0.307     1.728   90.476   87.959
LGA    A    45_A      A    45_A     0.306     0    0.033   0.034     0.446  100.000  100.000
LGA    H    46_A      H    46_A     0.306     0    0.027   0.175     0.549  100.000   98.095
LGA    K    47_A      K    47_A     0.325     0    0.040   0.154     0.472  100.000  100.000
LGA    V    48_A      V    48_A     0.196     0    0.048   0.055     0.529  100.000   98.639
LGA    V    49_A      V    49_A     0.374     0    0.034   0.055     0.435  100.000  100.000
LGA    L    50_A      L    50_A     0.433     0    0.020   0.086     0.956   97.619   95.238
LGA    A    51_A      A    51_A     0.343     0    0.019   0.019     0.385  100.000  100.000
LGA    A    52_A      A    52_A     0.488     0    0.109   0.126     0.828   95.238   94.286
LGA    C    53_A      C    53_A     0.901     0    0.127   0.141     1.405   92.857   89.048
LGA    S    54_A      S    54_A     0.709     0    0.045   0.057     0.835   92.857   92.063
LGA    D    55_A      D    55_A     0.629     0    0.055   0.178     1.683   95.238   89.524
LGA    Y    56_A      Y    56_A     0.431     0    0.010   0.038     0.798  100.000   93.651
LGA    F    57_A      F    57_A     0.391     0    0.022   0.041     0.786  100.000   94.805
LGA    R    58_A      R    58_A     0.296     0    0.047   0.994     6.441  100.000   74.242
LGA    A    59_A      A    59_A     0.415     0    0.033   0.043     0.554   97.619   98.095
LGA    M    60_A      M    60_A     0.496     0    0.024   0.096     0.767   95.238   95.238
LGA    F    61_A      F    61_A     0.714     0    0.055   0.071     1.020   88.214   89.654
LGA    T    62_A      T    62_A     0.927     0    0.070   0.084     1.118   85.952   87.891
LGA    G    63_A      G    63_A     1.436     0    0.681   0.681     3.590   69.762   69.762
LGA    G    64_A      G    64_A     1.616     0    0.031   0.031     1.636   77.143   77.143
LGA    M    65_A      M    65_A     1.195     0    0.022   0.843     2.627   81.429   78.571
LGA    R    66_A      R    66_A     1.074     0    0.030   1.057     5.009   85.952   70.000
LGA    E    67_A      E    67_A     0.671     0    0.048   0.197     1.740   90.476   86.508
LGA    A    68_A      A    68_A     0.856     0    0.066   0.075     0.926   90.476   90.476
LGA    S    69_A      S    69_A     0.583     0    0.025   0.039     0.705   95.238   96.825
LGA    Q    70_A      Q    70_A     0.414     0    0.028   0.117     0.663   97.619   94.709
LGA    D    71_A      D    71_A     0.467     0    0.047   0.158     0.852  100.000   95.238
LGA    V    72_A      V    72_A     0.225     0    0.010   0.030     0.400  100.000  100.000
LGA    I    73_A      I    73_A     0.222     0    0.022   0.072     0.403  100.000  100.000
LGA    E    74_A      E    74_A     0.335     0    0.063   0.187     0.815   97.619   95.767
LGA    L    75_A      L    75_A     0.301     0    0.184   0.245     0.912   97.619   98.810
LGA    K    76_A      K    76_A     0.959     0    0.050   0.589     1.362   85.952   86.455
LGA    G    77_A      G    77_A     1.479     0    0.086   0.086     1.825   79.286   79.286
LGA    V    78_A      V    78_A     1.121     0    0.034   0.169     1.661   88.333   82.925
LGA    S    79_A      S    79_A     0.941     0    0.091   0.511     1.689   90.476   89.127
LGA    A    80_A      A    80_A     0.665     0    0.040   0.039     0.761   90.476   90.476
LGA    R    81_A      R    81_A     0.374     0    0.054   1.080     4.043  100.000   85.325
LGA    G    82_A      G    82_A     0.135     0    0.049   0.049     0.278  100.000  100.000
LGA    L    83_A      L    83_A     0.167     0    0.024   0.051     0.418  100.000  100.000
LGA    R    84_A      R    84_A     0.115     0    0.023   0.707     2.975  100.000   77.316
LGA    H    85_A      H    85_A     0.090     0    0.030   0.146     0.595  100.000   98.095
LGA    I    86_A      I    86_A     0.140     0    0.019   0.096     0.454  100.000  100.000
LGA    I    87_A      I    87_A     0.305     0    0.026   0.078     0.505  100.000   98.810
LGA    D    88_A      D    88_A     0.305     0    0.077   0.183     0.710  100.000   98.810
LGA    F    89_A      F    89_A     0.296     0    0.014   0.092     0.427  100.000  100.000
LGA    A    90_A      A    90_A     0.420     0    0.085   0.085     0.901   95.238   96.190
LGA    Y    91_A      Y    91_A     0.404     0    0.048   0.093     0.449  100.000  100.000
LGA    S    92_A      S    92_A     0.524     0    0.036   0.081     0.628   95.238   96.825
LGA    A    93_A      A    93_A     0.493     0    0.032   0.048     0.604  100.000   98.095
LGA    E    94_A      E    94_A     0.375     0    0.051   0.119     0.776   97.619   97.884
LGA    V    95_A      V    95_A     0.151     0    0.057   0.061     0.407  100.000  100.000
LGA    T    96_A      T    96_A     0.346     0    0.030   0.143     0.699   95.238   94.558
LGA    L    97_A      L    97_A     0.607     0    0.045   0.060     0.708   92.857   91.667
LGA    D    98_A      D    98_A     0.532     0    0.024   0.154     1.018   90.476   89.345
LGA    L    99_A      L    99_A     0.737     0    0.018   0.090     0.826   90.476   90.476
LGA    D   100_A      D   100_A     0.771     0    0.081   0.956     3.860   92.857   75.714
LGA    C   101_A      C   101_A     0.528     0    0.086   0.152     1.115   95.238   92.143
LGA    V   102_A      V   102_A     0.551     0    0.019   0.025     0.622   90.476   91.837
LGA    Q   103_A      Q   103_A     0.348     0    0.003   1.244     5.593  100.000   76.190
LGA    D   104_A      D   104_A     0.131     0    0.022   0.293     0.798  100.000   97.619
LGA    V   105_A      V   105_A     0.159     0    0.021   0.036     0.273  100.000  100.000
LGA    L   106_A      L   106_A     0.249     0    0.009   0.074     0.249  100.000  100.000
LGA    G   107_A      G   107_A     0.384     0    0.041   0.041     0.426  100.000  100.000
LGA    A   108_A      A   108_A     0.440     0    0.058   0.065     0.536  100.000   98.095
LGA    A   109_A      A   109_A     0.175     0    0.050   0.055     0.280  100.000  100.000
LGA    V   110_A      V   110_A     0.160     0    0.018   0.039     0.209  100.000  100.000
LGA    F   111_A      F   111_A     0.241     0    0.011   0.326     0.737  100.000   96.537
LGA    L   112_A      L   112_A     0.154     0    0.011   0.042     0.502  100.000   98.810
LGA    Q   113_A      Q   113_A     0.326     0    0.026   0.246     0.679  100.000   97.884
LGA    M   114_A      M   114_A     0.444     0    0.057   0.962     2.121  100.000   90.952
LGA    L   115_A      L   115_A     0.449     0    0.038   1.399     3.941   97.619   78.095
LGA    P   116_A      P   116_A     0.295     0    0.032   0.038     0.449  100.000  100.000
LGA    V   117_A      V   117_A     0.210     0    0.023   0.096     0.346  100.000  100.000
LGA    V   118_A      V   118_A     0.336     0    0.013   0.029     0.516   97.619   98.639
LGA    E   119_A      E   119_A     0.536     0    0.066   0.447     1.915   92.857   90.635
LGA    L   120_A      L   120_A     0.468     0    0.025   0.125     0.554   95.238   96.429
LGA    C   121_A      C   121_A     0.527     0    0.009   0.049     0.642   92.857   92.063
LGA    E   122_A      E   122_A     0.739     0    0.032   0.977     3.752   90.476   74.127
LGA    E   123_A      E   123_A     0.731     0    0.033   0.915     2.665   90.476   77.354
LGA    F   124_A      F   124_A     0.639     0    0.040   0.036     0.720   90.476   90.476
LGA    L   125_A      L   125_A     0.763     0    0.017   0.068     0.867   90.476   90.476
LGA    K   126_A      K   126_A     0.856     0    0.020   1.444     6.330   90.476   70.688
LGA    A   127_A      A   127_A     0.639     0    0.039   0.037     0.714   90.476   90.476
LGA    A   128_A      A   128_A     0.662     0    0.185   0.179     1.183   88.214   88.667
LGA    M   129_A      M   129_A     0.889     0    0.598   1.237     7.668   90.476   63.631

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     0.704          0.712                  1.131           93.539   90.685

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  125    4.0    125    0.70    97.200    98.877    15.539

LGA_LOCAL      RMSD:   0.704  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.704  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   0.704  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.273566 * X  +   0.788627 * Y  +  -0.550662 * Z  +   0.401353
  Y_new =  -0.937430 * X  +  -0.090410 * Y  +   0.336231 * Z  + -30.803679
  Z_new =   0.215375 * X  +   0.608188 * Y  +   0.764016 * Z  + -55.918251 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.854737 -0.217076  0.672322   [DEG: -106.2686  -12.4376   38.5212 ]
ZXZ: -2.118969  0.701281  0.340346   [DEG: -121.4080   40.1805   19.5004 ]
 
# END of job
