
#######################################################
#                                                     #
#                        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       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  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     22  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     67  105  116  119  119  120  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     77  105  116  119  119  120  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     31  100  114  119  119  120  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      3    4    4   21  114  120  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     25  105  116  119  119  120  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     21  102  116  119  119  120  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     66  105  116  119  119  120  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     64  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     73  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     45  105  116  119  119  120  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     45  105  116  119  119  120  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     77  105  116  119  119  120  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     43  100  114  119  119  120  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     46  104  116  119  119  120  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     46  104  116  119  119  120  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     77  105  116  119  119  120  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     73  105  116  119  119  120  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     57  104  116  119  119  120  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     65  105  116  119  119  120  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     73  105  116  119  119  120  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     73  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     73  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     73  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     65  105  116  119  119  120  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     27  103  116  119  119  120  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     65  105  116  119  119  120  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     51  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     37  105  116  119  119  120  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     12   85  116  119  119  120  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     12   83  116  119  119  120  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     12   83  116  119  119  120  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     44  105  116  119  119  120  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     74  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     67  105  116  119  119  120  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     28  105  116  119  119  120  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     42  105  116  119  119  120  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     26   83  116  119  119  120  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     19   82  116  119  119  120  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     38   86  116  119  119  120  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     44  105  116  119  119  120  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     64  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     77  105  116  119  119  120  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     73  105  116  119  119  120  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     63  105  116  119  119  120  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      3    3   73  107  118  120  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     77    105    116    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  63.64  86.78  95.87  98.35  98.35  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
GDT RMS_LOCAL    0.33   0.50   0.64   0.69   0.69   0.74   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81
GDT RMS_ALL_AT   0.85   0.82   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    72_B      E    72_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     0.972     0    0.188   1.169     5.308   90.476   68.095
LGA    T    12_B      T    12_C     0.441     0    0.038   1.129     2.877   97.619   86.395
LGA    D    13_B      D    13_C     0.319     0    0.040   1.184     4.490  100.000   81.429
LGA    K    14_B      K    14_C     0.203     0    0.015   0.569     3.076  100.000   89.365
LGA    L    15_B      L    15_C     0.199     0    0.039   0.103     0.510  100.000   98.810
LGA    W    16_B      W    16_C     0.174     0    0.064   0.163     1.279  100.000   92.619
LGA    Y    17_B      Y    17_C     0.102     0    0.037   0.201     1.080  100.000   95.317
LGA    I    18_B      I    18_C     0.251     0    0.019   0.065     0.318  100.000  100.000
LGA    L    19_B      L    19_C     0.289     0    0.033   0.066     0.491  100.000  100.000
LGA    Q    20_B      Q    20_C     0.314     0    0.035   1.394     4.635  100.000   77.302
LGA    E    21_B      E    21_C     0.404     0    0.020   0.778     2.921  100.000   86.402
LGA    L    22_B      L    22_C     0.651     0    0.017   1.379     3.092   90.476   81.071
LGA    T    23_B      T    23_C     0.610     0    0.042   0.073     0.753   90.476   90.476
LGA    S    24_B      S    24_C     0.322     0    0.063   0.682     3.411   97.619   88.492
LGA    N    25_B      N    25_C     1.574     0    0.475   0.864     5.847   71.071   54.881
LGA    R    26_B      R    26_C     3.061     0    0.597   1.393     8.078   52.262   33.074
LGA    G    27_B      G    27_C     0.823     0    0.092   0.092     1.100   90.595   90.595
LGA    D    28_B      D    28_C     1.342     0    0.137   0.960     2.512   88.214   76.548
LGA    I    29_B      I    29_C     0.523     0    0.044   0.075     0.877   90.476   90.476
LGA    Q    30_B      Q    30_C     0.614     0    0.067   0.162     1.872   95.238   85.714
LGA    G    31_B      G    31_C     0.228     0    0.057   0.057     0.337  100.000  100.000
LGA    C    32_B      C    32_C     0.257     0    0.029   0.042     0.340  100.000  100.000
LGA    T    33_B      T    33_C     0.253     0    0.017   0.172     0.552  100.000   98.639
LGA    I    34_B      I    34_C     0.181     0    0.018   0.048     0.299  100.000  100.000
LGA    V    35_B      V    35_C     0.081     0    0.019   0.056     0.302  100.000  100.000
LGA    T    36_B      T    36_C     0.279     0    0.047   0.089     0.536  100.000   98.639
LGA    T    37_B      T    37_C     0.285     0    0.028   0.093     1.020  100.000   94.626
LGA    Q    38_B      Q    38_C     0.455     0    0.066   0.898     3.869   95.238   85.397
LGA    G    39_B      G    39_C     0.551     0    0.031   0.031     0.803   92.857   92.857
LGA    L    40_B      L    40_C     0.828     0    0.046   0.095     1.714   92.857   85.000
LGA    P    41_B      P    41_C     0.345     0    0.016   0.036     0.643  100.000   97.279
LGA    I    42_B      I    42_C     0.378     0    0.018   0.052     0.412  100.000  100.000
LGA    T    43_B      T    43_C     0.353     0    0.033   0.046     0.425  100.000  100.000
LGA    S    44_B      S    44_C     0.282     0    0.040   0.658     2.509   97.619   91.270
LGA    L    45_B      L    45_C     0.614     0    0.065   0.749     2.366   92.857   87.321
LGA    L    46_B      L    46_C     0.826     0    0.012   0.085     0.940   90.476   90.476
LGA    A    47_B      A    47_C     0.969     0    0.020   0.032     1.214   90.476   88.667
LGA    D    48_B      D    48_C     0.244     0    0.035   0.082     1.060   92.857   90.595
LGA    D    49_B      D    49_C     1.581     0    0.117   0.825     2.265   79.286   78.452
LGA    A    50_B      A    50_C     1.175     0    0.117   0.134     1.268   81.429   83.238
LGA    N    51_B      N    51_C     1.216     0    0.101   0.131     1.854   81.429   80.357
LGA    V    52_B      V    52_C     0.497     0    0.047   0.079     0.731   92.857   95.918
LGA    S    53_B      S    53_C     0.795     0    0.018   0.656     3.113   88.214   82.222
LGA    L    54_B      L    54_C     1.108     0    0.030   0.094     1.566   81.429   80.357
LGA    I    55_B      I    55_C     0.910     0    0.019   0.026     1.067   90.476   88.214
LGA    S    56_B      S    56_C     0.717     0    0.012   0.047     0.817   90.476   90.476
LGA    A    57_B      A    57_C     0.807     0    0.012   0.019     0.838   90.476   90.476
LGA    M    58_B      M    58_C     0.684     0    0.030   1.227     5.041   90.476   79.226
LGA    S    59_B      S    59_C     0.505     0    0.020   0.631     2.576   95.238   89.683
LGA    A    60_B      A    60_C     0.566     0    0.027   0.036     0.660   90.476   90.476
LGA    A    61_B      A    61_C     0.755     0    0.013   0.017     0.903   90.476   90.476
LGA    I    62_B      I    62_C     0.551     0    0.031   0.146     1.026   95.238   91.726
LGA    I    63_B      I    63_C     0.173     0    0.024   0.539     1.374  100.000   96.488
LGA    S    64_B      S    64_C     0.611     0    0.036   0.743     2.077   92.857   87.778
LGA    V    65_B      V    65_C     0.575     0    0.015   0.038     0.692   90.476   90.476
LGA    A    66_B      A    66_C     0.418     0    0.014   0.022     0.436  100.000  100.000
LGA    E    67_B      E    67_C     0.437     0    0.022   1.064     3.582  100.000   81.217
LGA    S    68_B      S    68_C     0.503     0    0.032   0.726     2.729   95.238   88.095
LGA    A    69_B      A    69_C     0.439     0    0.013   0.016     0.509  100.000   98.095
LGA    S    70_B      S    70_C     0.627     0    0.017   0.070     0.693   90.476   90.476
LGA    Q    71_B      Q    71_C     0.756     0    0.043   0.960     2.520   90.476   84.815
LGA    E    72_B      E    72_C     0.696     0    0.053   0.123     0.920   90.476   90.476
LGA    L    73_B      L    73_C     0.678     0    0.064   0.271     0.919   90.476   91.667
LGA    Q    74_B      Q    74_C     0.637     0    0.090   0.157     2.767   92.857   80.106
LGA    R    75_B      R    75_C     0.543     0    0.098   1.216     2.944   95.238   81.991
LGA    G    76_B      G    76_C     0.589     0    0.076   0.076     0.610   92.857   92.857
LGA    Y    77_B      Y    77_C     1.217     0    0.072   0.084     2.933   83.690   70.516
LGA    L    78_B      L    78_C     0.576     0    0.103   0.172     0.819   90.476   95.238
LGA    Q    79_B      Q    79_C     0.960     0    0.031   0.321     2.297   90.476   81.693
LGA    R    80_B      R    80_C     0.514     0    0.064   0.842     2.580   90.476   84.242
LGA    I    81_B      I    81_C     0.560     0    0.019   0.681     2.796   90.476   88.690
LGA    L    82_B      L    82_C     0.474     0    0.044   0.767     2.218   97.619   88.571
LGA    L    83_B      L    83_C     0.392     0    0.051   0.818     1.926  100.000   93.214
LGA    E    84_B      E    84_C     0.269     0    0.067   0.338     1.776   97.619   92.751
LGA    G    85_B      G    85_C     1.010     0    0.019   0.019     1.097   83.690   83.690
LGA    E    86_B      E    86_C     1.435     0    0.044   0.706     2.589   77.143   74.974
LGA    L    87_B      L    87_C     1.807     0    0.039   0.050     2.630   72.857   67.857
LGA    G    88_B      G    88_C     1.673     0    0.042   0.042     1.685   77.143   77.143
LGA    T    89_B      T    89_C     0.941     0    0.064   0.140     1.273   85.952   86.599
LGA    I    90_B      I    90_C     0.366     0    0.016   0.070     0.478  100.000  100.000
LGA    I    91_B      I    91_C     0.150     0    0.038   0.097     0.493  100.000  100.000
LGA    I    92_B      I    92_C     0.419     0    0.030   0.054     0.523   97.619   98.810
LGA    S    93_B      S    93_C     0.590     0    0.017   0.143     1.085   95.238   92.143
LGA    K    94_B      K    94_C     0.286     0    0.017   0.349     2.366  100.000   92.011
LGA    A    95_B      A    95_C     0.331     0    0.053   0.075     0.629   97.619   98.095
LGA    G    96_B      G    96_C     0.310     0    0.075   0.075     0.683   97.619   97.619
LGA    P    97_B      P    97_C     0.312     0    0.063   0.070     0.464  100.000  100.000
LGA    H    98_B      H    98_C     0.471     0    0.042   1.148     3.390   97.619   85.238
LGA    A    99_B      A    99_C     0.198     0    0.045   0.059     0.507   97.619   98.095
LGA    I   100_B      I   100_C     0.407     0    0.057   1.211     2.834  100.000   85.655
LGA    L   101_B      L   101_C     0.182     0    0.013   0.084     0.278  100.000  100.000
LGA    V   102_B      V   102_C     0.140     0    0.015   0.045     0.320  100.000  100.000
LGA    S   103_B      S   103_C     0.121     0    0.046   0.063     0.163  100.000  100.000
LGA    L   104_B      L   104_C     0.541     0    0.012   0.077     0.990   92.857   91.667
LGA    V   105_B      V   105_C     0.900     0    0.093   1.193     2.762   88.214   80.748
LGA    D   106_B      D   106_C     0.984     0    0.028   0.914     2.748   83.810   76.429
LGA    K   107_B      K   107_C     1.602     0    0.065   0.951     7.558   75.000   56.243
LGA    D   108_B      D   108_C     1.761     0    0.076   0.126     2.038   72.857   71.845
LGA    A   109_B      A   109_C     1.383     0    0.085   0.103     1.545   81.548   81.524
LGA    K   110_B      K   110_C     1.096     0    0.127   1.446     7.839   81.429   61.164
LGA    L   111_B      L   111_C     0.497     0    0.087   1.358     3.103   97.619   82.619
LGA    G   112_B      G   112_C     0.404     0    0.049   0.049     0.595   97.619   97.619
LGA    I   113_B      I   113_C     0.380     0    0.009   0.074     0.690  100.000   97.619
LGA    I   114_B      I   114_C     0.355     0    0.036   0.659     2.287  100.000   94.405
LGA    L   115_B      L   115_C     0.322     0    0.043   0.107     0.551  100.000   98.810
LGA    M   116_B      M   116_C     0.177     0    0.059   1.242     3.110  100.000   84.940
LGA    L   117_B      L   117_C     0.203     0    0.052   0.159     0.366  100.000  100.000
LGA    I   118_B      I   118_C     0.311     0    0.062   0.092     0.465  100.000  100.000
LGA    D   119_B      D   119_C     0.311     0    0.086   0.166     0.840  100.000   95.238
LGA    K   120_B      K   120_C     0.215     0    0.018   0.395     1.420  100.000   95.820
LGA    A   121_B      A   121_C     0.145     0    0.025   0.035     0.271  100.000  100.000
LGA    I   122_B      I   122_C     0.346     0    0.053   1.350     2.823  100.000   84.643
LGA    K   123_B      K   123_C     0.210     0    0.024   0.963     4.917  100.000   84.550
LGA    Q   124_B      Q   124_C     0.229     0    0.019   0.170     0.604  100.000   97.884
LGA    I   125_B      I   125_C     0.284     0    0.019   0.028     0.393  100.000  100.000
LGA    A   126_B      A   126_C     0.339     0    0.035   0.044     0.521   97.619   98.095
LGA    E   127_B      E   127_C     0.445     0    0.053   0.111     0.964  100.000   95.767
LGA    L   128_B      L   128_C     0.426     0    0.061   1.082     2.420   95.238   88.810
LGA    M   129_B      M   129_C     0.576     0    0.051   0.080     0.722   92.857   94.048
LGA    D   130_B      D   130_C     0.781     0    0.609   0.910     4.766   88.452   70.655
LGA    A   131_B      A   131_C     3.459     0    0.486   0.505     5.708   41.190   37.238

# 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):     0.806          0.840                  1.429           93.111   88.305

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.81    96.281    98.372    13.353

LGA_LOCAL      RMSD:   0.806  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.806  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.806  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.799403 * X  +   0.388615 * Y  +   0.458184 * Z  +  21.134705
  Y_new =   0.368966 * X  +   0.919427 * Y  +  -0.136081 * Z  +  -4.573941
  Z_new =  -0.474150 * X  +   0.060271 * Y  +  -0.878379 * Z  +  23.777615 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.709174  0.493999  3.073084   [DEG:  155.2242   28.3040  176.0747 ]
ZXZ:  1.282094  2.643256 -1.444360   [DEG:   73.4586  151.4474  -82.7558 ]
 
# END of job
