
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.80     0.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.80     0.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.80     0.80
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C    121  121  121     20   98  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     47  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     62  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121     20  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      4    4   56  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     48  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121     22   95  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     62  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     57  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     63  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     64  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     64  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     57  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     64  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     22  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     42  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     65  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121     25   98  115  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     52  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     52  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     64  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     58  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     42  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     42  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     42  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     42  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     57  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     42  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     37  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     52  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     64  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     64  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     63  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     12  103  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     62  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     55  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121     29  103  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121      8   82  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121      8   75  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121      8   71  116  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     22  103  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     66  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     14  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     40  103  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121     40   84  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121     35   71  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     40   94  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     37  100  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     66  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     69  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     68  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     52  104  117  120  120  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      0    3   31   90  112  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
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     69    104    117    120    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  57.02  85.95  96.69  99.17  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.69   0.74   0.74   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80
GDT RMS_ALL_AT   0.84   0.84   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     1.103     0    0.210   1.312     5.286   88.214   68.714
LGA    T    12_B      T    12_C     0.587     0    0.040   1.126     2.869   95.238   83.673
LGA    D    13_B      D    13_C     0.246     0    0.050   1.182     4.471  100.000   83.333
LGA    K    14_B      K    14_C     0.234     0    0.023   0.567     3.202  100.000   88.413
LGA    L    15_B      L    15_C     0.305     0    0.027   0.104     0.689  100.000   98.810
LGA    W    16_B      W    16_C     0.225     0    0.072   0.214     1.615  100.000   90.034
LGA    Y    17_B      Y    17_C     0.168     0    0.029   0.128     0.913  100.000   96.825
LGA    I    18_B      I    18_C     0.326     0    0.018   0.067     0.394  100.000  100.000
LGA    L    19_B      L    19_C     0.375     0    0.015   0.083     0.655  100.000   98.810
LGA    Q    20_B      Q    20_C     0.366     0    0.029   1.431     4.497  100.000   78.783
LGA    E    21_B      E    21_C     0.450     0    0.029   1.028     5.181  100.000   75.185
LGA    L    22_B      L    22_C     0.608     0    0.026   1.370     3.050   90.476   81.071
LGA    T    23_B      T    23_C     0.667     0    0.024   0.036     0.842   90.476   91.837
LGA    S    24_B      S    24_C     0.531     0    0.021   0.078     1.155   90.476   88.968
LGA    N    25_B      N    25_C     0.811     0    0.072   0.363     1.502   83.810   83.750
LGA    R    26_B      R    26_C     2.173     0    0.614   1.410     6.520   59.881   48.615
LGA    G    27_B      G    27_C     0.602     0    0.018   0.018     0.916   90.476   90.476
LGA    D    28_B      D    28_C     1.345     0    0.139   0.967     2.488   88.214   78.571
LGA    I    29_B      I    29_C     0.513     0    0.049   0.057     1.023   90.476   89.345
LGA    Q    30_B      Q    30_C     0.719     0    0.049   0.133     1.538   90.476   85.503
LGA    G    31_B      G    31_C     0.439     0    0.038   0.038     0.533   95.238   95.238
LGA    C    32_B      C    32_C     0.429     0    0.023   0.788     2.065  100.000   92.540
LGA    T    33_B      T    33_C     0.346     0    0.035   0.149     0.694  100.000   98.639
LGA    I    34_B      I    34_C     0.323     0    0.012   0.042     0.399  100.000  100.000
LGA    V    35_B      V    35_C     0.341     0    0.034   1.130     2.652  100.000   88.639
LGA    T    36_B      T    36_C     0.282     0    0.043   0.077     0.528  100.000   98.639
LGA    T    37_B      T    37_C     0.440     0    0.031   0.101     1.299   97.619   91.973
LGA    Q    38_B      Q    38_C     0.556     0    0.061   1.021     4.531   92.857   82.011
LGA    G    39_B      G    39_C     0.564     0    0.014   0.014     0.879   92.857   92.857
LGA    L    40_B      L    40_C     0.872     0    0.038   0.081     1.881   92.857   83.929
LGA    P    41_B      P    41_C     0.591     0    0.023   0.310     0.989   92.857   91.837
LGA    I    42_B      I    42_C     0.531     0    0.032   0.106     0.579   90.476   91.667
LGA    T    43_B      T    43_C     0.502     0    0.033   0.047     0.527   97.619   95.918
LGA    S    44_B      S    44_C     0.470     0    0.041   0.626     2.412   95.238   90.952
LGA    L    45_B      L    45_C     0.686     0    0.178   0.724     2.271   90.476   87.262
LGA    L    46_B      L    46_C     0.922     0    0.011   0.085     1.218   88.214   88.214
LGA    A    47_B      A    47_C     0.968     0    0.017   0.030     1.149   90.476   88.667
LGA    D    48_B      D    48_C     0.514     0    0.034   0.091     1.104   88.214   91.726
LGA    D    49_B      D    49_C     1.659     0    0.098   0.831     2.353   79.286   77.321
LGA    A    50_B      A    50_C     1.099     0    0.115   0.132     1.236   81.429   83.238
LGA    N    51_B      N    51_C     1.127     0    0.107   0.133     1.682   83.690   81.488
LGA    V    52_B      V    52_C     0.599     0    0.043   0.088     0.862   90.476   91.837
LGA    S    53_B      S    53_C     0.861     0    0.020   0.657     3.049   85.952   80.714
LGA    L    54_B      L    54_C     1.211     0    0.038   0.108     1.543   81.429   80.357
LGA    I    55_B      I    55_C     1.084     0    0.025   0.029     1.149   85.952   84.821
LGA    S    56_B      S    56_C     0.957     0    0.034   0.030     1.034   88.214   88.968
LGA    A    57_B      A    57_C     1.100     0    0.012   0.023     1.124   81.429   81.429
LGA    M    58_B      M    58_C     1.002     0    0.022   0.862     2.773   85.952   78.571
LGA    S    59_B      S    59_C     0.896     0    0.014   0.021     0.999   90.476   90.476
LGA    A    60_B      A    60_C     0.899     0    0.028   0.037     0.952   90.476   90.476
LGA    A    61_B      A    61_C     1.019     0    0.015   0.021     1.164   85.952   85.048
LGA    I    62_B      I    62_C     0.784     0    0.028   0.153     1.212   90.476   88.214
LGA    I    63_B      I    63_C     0.356     0    0.026   0.564     1.580  100.000   95.417
LGA    S    64_B      S    64_C     0.632     0    0.046   0.730     2.389   90.476   86.190
LGA    V    65_B      V    65_C     0.501     0    0.030   0.061     0.608   95.238   93.197
LGA    A    66_B      A    66_C     0.412     0    0.015   0.025     0.452  100.000  100.000
LGA    E    67_B      E    67_C     0.436     0    0.018   1.207     4.626  100.000   81.587
LGA    S    68_B      S    68_C     0.376     0    0.029   0.751     2.546  100.000   92.857
LGA    A    69_B      A    69_C     0.255     0    0.018   0.018     0.353  100.000  100.000
LGA    S    70_B      S    70_C     0.495     0    0.012   0.063     0.616  100.000   98.413
LGA    Q    71_B      Q    71_C     0.600     0    0.038   0.972     2.695   92.857   85.873
LGA    E    72_B      E    72_C     0.408     0    0.074   0.682     2.308  100.000   85.238
LGA    L    73_B      L    73_C     0.270     0    0.076   0.266     0.673   97.619   96.429
LGA    Q    74_B      Q    74_C     0.432     0    0.076   0.084     2.163  100.000   86.931
LGA    R    75_B      R    75_C     0.354     0    0.117   1.220     3.015   97.619   83.723
LGA    G    76_B      G    76_C     0.447     0    0.097   0.097     0.572   97.619   97.619
LGA    Y    77_B      Y    77_C     1.312     0    0.083   1.290     9.023   81.429   47.698
LGA    L    78_B      L    78_C     0.499     0    0.136   0.214     0.923   92.857   96.429
LGA    Q    79_B      Q    79_C     0.702     0    0.046   0.498     2.600   95.238   82.963
LGA    R    80_B      R    80_C     0.608     0    0.081   0.774     2.941   92.857   85.065
LGA    I    81_B      I    81_C     0.598     0    0.012   0.692     2.877   90.476   86.310
LGA    L    82_B      L    82_C     0.420     0    0.043   0.165     1.167   97.619   92.917
LGA    L    83_B      L    83_C     0.423     0    0.046   0.802     1.942  100.000   93.214
LGA    E    84_B      E    84_C     0.306     0    0.054   0.200     1.780   95.238   89.630
LGA    G    85_B      G    85_C     1.014     0    0.024   0.024     1.039   85.952   85.952
LGA    E    86_B      E    86_C     1.382     0    0.084   0.808     4.385   77.143   63.968
LGA    L    87_B      L    87_C     1.831     0    0.037   0.048     2.809   72.857   67.857
LGA    G    88_B      G    88_C     1.773     0    0.050   0.050     1.773   77.143   77.143
LGA    T    89_B      T    89_C     0.945     0    0.068   0.142     1.336   85.952   85.306
LGA    I    90_B      I    90_C     0.370     0    0.010   0.060     0.555  100.000   96.429
LGA    I    91_B      I    91_C     0.148     0    0.055   0.079     0.640  100.000   98.810
LGA    I    92_B      I    92_C     0.522     0    0.026   0.040     0.577   90.476   90.476
LGA    S    93_B      S    93_C     0.551     0    0.022   0.101     0.741   95.238   93.651
LGA    K    94_B      K    94_C     0.367     0    0.024   0.341     2.230  100.000   92.011
LGA    A    95_B      A    95_C     0.346     0    0.058   0.078     0.667   97.619   98.095
LGA    G    96_B      G    96_C     0.435     0    0.071   0.071     0.660   97.619   97.619
LGA    P    97_B      P    97_C     0.411     0    0.061   0.077     0.572   97.619   98.639
LGA    H    98_B      H    98_C     0.545     0    0.069   1.151     3.360   92.857   85.000
LGA    A    99_B      A    99_C     0.198     0    0.044   0.053     0.509   97.619   98.095
LGA    I   100_B      I   100_C     0.466     0    0.056   1.194     2.900  100.000   86.667
LGA    L   101_B      L   101_C     0.219     0    0.012   0.060     0.315  100.000  100.000
LGA    V   102_B      V   102_C     0.251     0    0.027   0.048     0.418  100.000  100.000
LGA    S   103_B      S   103_C     0.169     0    0.035   0.053     0.210  100.000  100.000
LGA    L   104_B      L   104_C     0.587     0    0.014   0.090     1.224   92.857   90.536
LGA    V   105_B      V   105_C     0.902     0    0.102   1.177     2.776   88.214   80.748
LGA    D   106_B      D   106_C     0.934     0    0.027   0.892     2.692   85.952   77.500
LGA    K   107_B      K   107_C     1.565     0    0.049   1.060     8.137   75.000   55.291
LGA    D   108_B      D   108_C     1.762     0    0.057   0.146     2.180   72.857   70.833
LGA    A   109_B      A   109_C     1.318     0    0.090   0.111     1.477   81.429   81.429
LGA    K   110_B      K   110_C     1.114     0    0.129   1.459     7.911   79.286   59.471
LGA    L   111_B      L   111_C     0.534     0    0.079   1.360     3.354   95.238   82.381
LGA    G   112_B      G   112_C     0.499     0    0.069   0.069     0.749   95.238   95.238
LGA    I   113_B      I   113_C     0.371     0    0.011   0.046     0.698  100.000   97.619
LGA    I   114_B      I   114_C     0.445     0    0.044   0.662     2.053  100.000   93.214
LGA    L   115_B      L   115_C     0.430     0    0.055   0.089     0.836  100.000   96.429
LGA    M   116_B      M   116_C     0.203     0    0.046   1.205     5.009  100.000   85.417
LGA    L   117_B      L   117_C     0.277     0    0.052   0.141     0.373  100.000  100.000
LGA    I   118_B      I   118_C     0.319     0    0.063   0.093     0.473  100.000  100.000
LGA    D   119_B      D   119_C     0.208     0    0.062   0.184     0.628  100.000   98.810
LGA    K   120_B      K   120_C     0.162     0    0.032   0.453     1.729  100.000   94.868
LGA    A   121_B      A   121_C     0.190     0    0.033   0.040     0.310  100.000  100.000
LGA    I   122_B      I   122_C     0.411     0    0.059   1.338     2.918  100.000   84.643
LGA    K   123_B      K   123_C     0.182     0    0.034   0.953     5.086  100.000   83.968
LGA    Q   124_B      Q   124_C     0.270     0    0.017   0.859     2.274  100.000   94.021
LGA    I   125_B      I   125_C     0.342     0    0.020   0.026     0.468  100.000  100.000
LGA    A   126_B      A   126_C     0.402     0    0.041   0.049     0.607   97.619   98.095
LGA    E   127_B      E   127_C     0.506     0    0.046   0.090     0.901   97.619   93.651
LGA    L   128_B      L   128_C     0.532     0    0.063   1.076     2.305   92.857   87.619
LGA    M   129_B      M   129_C     0.690     0    0.037   0.108     0.971   90.476   90.476
LGA    D   130_B      D   130_C     0.955     0    0.632   0.889     4.761   81.786   67.321
LGA    A   131_B      A   131_C     3.221     0    0.470   0.490     5.384   45.833   41.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     0.796          0.834                  1.476           92.743   87.680

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.80    96.281    98.532    13.499

LGA_LOCAL      RMSD:   0.796  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.796  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.796  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.770939 * X  +   0.240390 * Y  +   0.589801 * Z  +  21.224396
  Y_new =   0.252008 * X  +   0.965596 * Y  +  -0.064152 * Z  +  -5.867547
  Z_new =  -0.584931 * X  +   0.099178 * Y  +  -0.804996 * Z  +  20.049442 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.825657  0.624795  3.019008   [DEG:  161.8982   35.7981  172.9764 ]
ZXZ:  1.462454  2.506466 -1.402840   [DEG:   83.7924  143.6099  -80.3768 ]
 
# END of job
