
#######################################################
#                                                     #
#                        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  130 (  978),  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       0.74     0.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.74     0.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       0.74     0.74
  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      7  107  120  123  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      7  105  120  123  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      7  113  120  123  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     49  113  120  123  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     49  113  120  123  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     17  112  120  123  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     49  113  120  123  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     40  113  120  123  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     49  113  120  123  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     69  113  120  123  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     61  113  120  123  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     58  113  120  123  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     70  113  120  123  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     71  113  120  123  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     71  113  120  123  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     70  113  120  123  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     71  113  120  123  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     71  113  120  123  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  113  120  123  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     50  113  120  123  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     47  113  120  123  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     61  113  120  123  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     56  113  120  123  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     49  113  120  123  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     47  113  120  123  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     49  113  120  123  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     49  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     57  113  120  123  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    5  102  117  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     44  112  120  123  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     71  113  120  123  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     68  113  120  123  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     55  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     66  113  120  123  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     71  113  120  123  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     71  113  120  123  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     61  113  120  123  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     40  113  120  123  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     40  113  120  123  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     49  113  120  123  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     50  113  120  123  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     71  113  120  123  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  113  120  123  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     71  113  120  123  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     71  113  120  123  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     61  113  120  123  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     61  113  120  123  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     53  113  120  123  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      3   32  112  123  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      5    6   58  120  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      6   81  112  123  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     25  113  120  123  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     54  113  120  123  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     46  112  120  123  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     64  113  120  123  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     68  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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  102  120  123  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      4   35  119  123  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      8   93  120  123  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     48  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     70  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     70  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     47  113  120  123  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     61  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     71  113  120  123  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     70  113  120  123  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     62  113  120  123  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     71    113    120    123    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  56.80  90.40  96.00  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.54   0.60   0.67   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74
GDT RMS_ALL_AT   0.78   0.75   0.75   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74   0.74

# 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:  E   122_A      E   122_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     1.267     0    0.105   1.262     3.193   77.143   73.274
LGA    K     6_A      K     6_A     1.221     0    0.121   0.281     3.821   85.952   71.905
LGA    C     7_A      C     7_A     0.941     0    0.028   0.722     2.663   90.476   83.413
LGA    T     8_A      T     8_A     1.055     0    0.018   0.033     1.433   85.952   84.014
LGA    F     9_A      F     9_A     0.883     0    0.024   0.119     1.057   88.214   89.654
LGA    S    10_A      S    10_A     1.196     0    0.049   0.061     1.682   85.952   81.587
LGA    A    11_A      A    11_A     0.710     0    0.078   0.082     0.829   90.476   92.381
LGA    P    12_A      P    12_A     0.855     0    0.043   0.284     1.471   90.476   86.599
LGA    S    13_A      S    13_A     0.734     0    0.037   0.143     0.812   90.476   90.476
LGA    H    14_A      H    14_A     0.420     0    0.017   0.094     0.548   97.619   99.048
LGA    S    15_A      S    15_A     0.549     0    0.068   0.161     0.809   95.238   93.651
LGA    T    16_A      T    16_A     0.747     0    0.042   0.105     0.939   90.476   90.476
LGA    S    17_A      S    17_A     0.579     0    0.021   0.039     0.667   90.476   90.476
LGA    L    18_A      L    18_A     0.399     0    0.026   0.262     1.030   97.619   95.298
LGA    L    19_A      L    19_A     0.469     0    0.015   0.051     0.704   95.238   94.048
LGA    Q    20_A      Q    20_A     0.646     0    0.017   0.235     0.790   90.476   91.534
LGA    G    21_A      G    21_A     0.677     0    0.039   0.039     0.684   90.476   90.476
LGA    L    22_A      L    22_A     0.597     0    0.013   0.074     0.743   90.476   90.476
LGA    A    23_A      A    23_A     0.609     0    0.019   0.031     0.737   90.476   90.476
LGA    T    24_A      T    24_A     0.888     0    0.098   1.116     3.183   90.476   82.109
LGA    L    25_A      L    25_A     0.945     0    0.033   0.106     1.344   90.476   87.083
LGA    R    26_A      R    26_A     0.700     0    0.023   0.405     1.485   90.476   91.385
LGA    A    27_A      A    27_A     0.807     0    0.019   0.039     0.906   90.476   90.476
LGA    Q    28_A      Q    28_A     0.984     0    0.024   0.985     3.493   85.952   81.958
LGA    G    29_A      G    29_A     1.100     0    0.017   0.017     1.190   81.429   81.429
LGA    Q    30_A      Q    30_A     0.951     0    0.018   0.855     3.476   90.476   78.413
LGA    L    31_A      L    31_A     0.871     0    0.030   0.105     1.295   90.476   87.083
LGA    L    32_A      L    32_A     0.463     0    0.047   0.142     0.626   97.619   95.238
LGA    D    33_A      D    33_A     0.553     0    0.021   0.051     0.589   95.238   95.238
LGA    V    34_A      V    34_A     0.193     0    0.046   0.078     0.413  100.000  100.000
LGA    V    35_A      V    35_A     0.175     0    0.056   0.068     0.459  100.000  100.000
LGA    L    36_A      L    36_A     0.420     0    0.059   0.101     0.553  100.000   98.810
LGA    T    37_A      T    37_A     0.387     0    0.014   0.102     0.615  100.000   98.639
LGA    I    38_A      I    38_A     0.491     0    0.039   1.206     2.927   95.238   83.452
LGA    N    39_A      N    39_A     0.860     0    0.591   0.593     1.826   86.071   81.607
LGA    R    40_A      R    40_A     2.645     0    0.035   1.362     6.832   62.976   46.277
LGA    E    41_A      E    41_A     0.997     0    0.062   0.643     1.609   88.214   84.497
LGA    A    42_A      A    42_A     0.255     0    0.025   0.040     0.675   95.238   96.190
LGA    F    43_A      F    43_A     0.558     0    0.037   0.056     1.278   97.619   90.606
LGA    P    44_A      P    44_A     0.582     0    0.056   0.310     1.738   90.476   87.959
LGA    A    45_A      A    45_A     0.219     0    0.040   0.043     0.387  100.000  100.000
LGA    H    46_A      H    46_A     0.483     0    0.029   0.195     0.722   95.238   92.381
LGA    K    47_A      K    47_A     0.496     0    0.038   0.145     0.510   97.619   98.942
LGA    V    48_A      V    48_A     0.383     0    0.060   0.091     0.666   97.619   95.918
LGA    V    49_A      V    49_A     0.570     0    0.023   0.049     0.680   92.857   91.837
LGA    L    50_A      L    50_A     0.586     0    0.046   0.119     1.196   92.857   89.405
LGA    A    51_A      A    51_A     0.592     0    0.033   0.031     0.606   92.857   92.381
LGA    A    52_A      A    52_A     0.666     0    0.136   0.154     1.179   88.214   88.667
LGA    C    53_A      C    53_A     0.977     0    0.069   0.719     1.455   90.476   87.460
LGA    S    54_A      S    54_A     0.833     0    0.035   0.061     0.993   90.476   90.476
LGA    D    55_A      D    55_A     0.801     0    0.053   0.165     1.798   90.476   84.881
LGA    Y    56_A      Y    56_A     0.698     0    0.013   0.039     0.962   90.476   90.476
LGA    F    57_A      F    57_A     0.513     0    0.018   0.049     0.822   95.238   92.208
LGA    R    58_A      R    58_A     0.560     0    0.037   1.060     5.409   92.857   72.294
LGA    A    59_A      A    59_A     0.620     0    0.055   0.067     0.620   90.476   90.476
LGA    M    60_A      M    60_A     0.547     0    0.044   0.089     0.735   90.476   91.667
LGA    F    61_A      F    61_A     0.654     0    0.021   0.102     0.923   90.476   90.476
LGA    T    62_A      T    62_A     1.035     0    0.044   0.074     1.124   83.690   84.014
LGA    G    63_A      G    63_A     0.959     0    0.678   0.678     2.954   82.143   82.143
LGA    G    64_A      G    64_A     2.364     0    0.032   0.032     3.217   61.190   61.190
LGA    M    65_A      M    65_A     2.445     0    0.093   1.101     7.390   66.786   50.655
LGA    R    66_A      R    66_A     1.891     0    0.033   1.240     4.745   75.119   62.900
LGA    E    67_A      E    67_A     0.772     0    0.050   0.155     2.351   88.214   80.794
LGA    A    68_A      A    68_A     0.792     0    0.064   0.074     0.857   90.476   90.476
LGA    S    69_A      S    69_A     1.009     0    0.024   0.024     1.372   88.214   85.952
LGA    Q    70_A      Q    70_A     0.480     0    0.009   0.387     1.269   97.619   92.698
LGA    D    71_A      D    71_A     0.386     0    0.017   0.088     0.640  100.000   98.810
LGA    V    72_A      V    72_A     0.188     0    0.012   0.035     0.369  100.000  100.000
LGA    I    73_A      I    73_A     0.294     0    0.007   0.094     0.348  100.000  100.000
LGA    E    74_A      E    74_A     0.366     0    0.073   0.224     0.780   97.619   96.825
LGA    L    75_A      L    75_A     0.437     0    0.185   0.241     0.946   97.619   97.619
LGA    K    76_A      K    76_A     1.166     0    0.061   0.627     1.863   83.690   82.487
LGA    G    77_A      G    77_A     1.762     0    0.025   0.025     1.982   72.857   72.857
LGA    V    78_A      V    78_A     1.396     0    0.095   1.120     2.478   85.952   78.027
LGA    S    79_A      S    79_A     0.822     0    0.122   0.510     1.611   90.476   89.127
LGA    A    80_A      A    80_A     0.614     0    0.047   0.047     0.705   90.476   90.476
LGA    R    81_A      R    81_A     0.408     0    0.060   1.077     4.110  100.000   84.502
LGA    G    82_A      G    82_A     0.165     0    0.038   0.038     0.283  100.000  100.000
LGA    L    83_A      L    83_A     0.170     0    0.026   0.047     0.542  100.000   97.619
LGA    R    84_A      R    84_A     0.053     0    0.023   1.226     5.546  100.000   72.381
LGA    H    85_A      H    85_A     0.070     0    0.037   0.106     0.490  100.000  100.000
LGA    I    86_A      I    86_A     0.033     0    0.011   0.167     0.784  100.000   98.810
LGA    I    87_A      I    87_A     0.386     0    0.030   0.156     1.091   97.619   94.107
LGA    D    88_A      D    88_A     0.245     0    0.076   0.194     0.704  100.000   98.810
LGA    F    89_A      F    89_A     0.199     0    0.015   0.099     0.457  100.000  100.000
LGA    A    90_A      A    90_A     0.298     0    0.098   0.096     0.781   97.619   98.095
LGA    Y    91_A      Y    91_A     0.246     0    0.032   0.091     0.350  100.000  100.000
LGA    S    92_A      S    92_A     0.395     0    0.035   0.094     0.490  100.000  100.000
LGA    A    93_A      A    93_A     0.329     0    0.037   0.051     0.420  100.000  100.000
LGA    E    94_A      E    94_A     0.306     0    0.049   0.104     0.622  100.000   98.942
LGA    V    95_A      V    95_A     0.123     0    0.079   0.083     0.424  100.000  100.000
LGA    T    96_A      T    96_A     0.101     0    0.018   0.108     0.406  100.000  100.000
LGA    L    97_A      L    97_A     0.337     0    0.042   0.054     0.409  100.000  100.000
LGA    D    98_A      D    98_A     0.183     0    0.023   0.044     0.462  100.000  100.000
LGA    L    99_A      L    99_A     0.263     0    0.041   0.086     0.645  100.000   97.619
LGA    D   100_A      D   100_A     0.423     0    0.019   0.109     0.523  100.000   98.810
LGA    C   101_A      C   101_A     0.540     0    0.074   0.097     1.024   97.619   93.730
LGA    V   102_A      V   102_A     0.513     0    0.021   0.030     0.598   92.857   94.558
LGA    Q   103_A      Q   103_A     0.395     0    0.011   0.272     1.312  100.000   94.762
LGA    D   104_A      D   104_A     0.289     0    0.011   0.297     0.843  100.000   97.619
LGA    V   105_A      V   105_A     0.307     0    0.023   0.062     0.459  100.000  100.000
LGA    L   106_A      L   106_A     0.222     0    0.010   0.077     0.286  100.000  100.000
LGA    G   107_A      G   107_A     0.146     0    0.041   0.041     0.203  100.000  100.000
LGA    A   108_A      A   108_A     0.318     0    0.042   0.048     0.403  100.000  100.000
LGA    A   109_A      A   109_A     0.246     0    0.039   0.044     0.264  100.000  100.000
LGA    V   110_A      V   110_A     0.108     0    0.025   0.041     0.185  100.000  100.000
LGA    F   111_A      F   111_A     0.193     0    0.012   0.372     0.905  100.000   95.671
LGA    L   112_A      L   112_A     0.170     0    0.020   0.033     0.598  100.000   98.810
LGA    Q   113_A      Q   113_A     0.392     0    0.032   0.645     1.490   95.238   93.757
LGA    M   114_A      M   114_A     0.689     0    0.035   0.611     1.667   92.857   89.464
LGA    L   115_A      L   115_A     0.608     0    0.050   1.399     4.405   95.238   75.238
LGA    P   116_A      P   116_A     0.243     0    0.033   0.048     0.515  100.000   98.639
LGA    V   117_A      V   117_A     0.151     0    0.030   0.082     0.301  100.000  100.000
LGA    V   118_A      V   118_A     0.248     0    0.021   0.035     0.287  100.000  100.000
LGA    E   119_A      E   119_A     0.317     0    0.064   0.524     1.854  100.000   94.868
LGA    L   120_A      L   120_A     0.207     0    0.024   0.134     0.668  100.000   98.810
LGA    C   121_A      C   121_A     0.186     0    0.007   0.053     0.383  100.000  100.000
LGA    E   122_A      E   122_A     0.286     0    0.016   0.392     1.807  100.000   92.804
LGA    E   123_A      E   123_A     0.288     0    0.038   0.793     2.225  100.000   84.339
LGA    F   124_A      F   124_A     0.177     0    0.035   0.115     0.337  100.000  100.000
LGA    L   125_A      L   125_A     0.342     0    0.027   0.057     0.465  100.000  100.000
LGA    K   126_A      K   126_A     0.411     0    0.030   1.431     6.160  100.000   75.132
LGA    A   127_A      A   127_A     0.285     0    0.050   0.047     0.340  100.000  100.000
LGA    A   128_A      A   128_A     0.377     0    0.070   0.066     0.661   97.619   98.095
LGA    M   129_A      M   129_A     0.651     0    0.128   1.113     5.719   90.595   76.012

# 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):     0.743          0.737                  1.173           93.766   90.774

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    125    0.74    97.200    98.832    14.827

LGA_LOCAL      RMSD:   0.743  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.743  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   0.743  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.483384 * X  +   0.869082 * Y  +   0.105053 * Z  +  -1.867751
  Y_new =  -0.847607 * X  +  -0.434648 * Y  +  -0.304374 * Z  +   2.133204
  Z_new =  -0.218865 * X  +  -0.236173 * Y  +   0.946742 * Z  + -20.515896 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.089086  0.220651 -0.244469   [DEG: -119.6958   12.6424  -14.0070 ]
ZXZ:  0.332342  0.327834 -2.394213   [DEG:   19.0418   18.7835 -137.1783 ]
 
# END of job
