
#######################################################
#                                                     #
#                        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  126 ( 1012),  selected  126 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  126 , 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:   126       7_A - 132_A       2.49     2.49
  LCS_AVERAGE:     95.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       8_A - 132_A       1.99     2.50
  LCS_AVERAGE:     93.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      12_A - 132_A       0.98     2.67
  LCS_AVERAGE:     88.12

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     7_A     E     7_A      3    4  126      3    3    3    3    3    4    5    7    9   10   18   26   28   36   45   62   76   97  115  124 
LCS_GDT     N     8_A     N     8_A      3  125  126      3    3    3    3    3    4    5   12   51   92  107  117  124  125  125  125  125  125  125  125 
LCS_GDT     L     9_A     L     9_A      3  125  126      3    3    3    3    3    4   13   30   60   92  117  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    10_A     Y    10_A      3  125  126      3    3    3    4    4    7   15   37   75   94  117  122  124  125  125  125  125  125  125  125 
LCS_GDT     F    11_A     F    11_A      3  125  126      3    3   11   27   37   64   97  113  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    12_A     Q    12_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A    121  125  126     41   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    14_A     S    14_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    15_A     A    15_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    16_A     K    16_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    17_A     Q    17_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    18_A     D    18_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    19_A     F    19_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    20_A     A    20_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    21_A     E    21_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    22_A     G    22_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    23_A     V    23_A    121  125  126     40   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    24_A     K    24_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    26_A     W    26_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    27_A     Q    27_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    28_A     E    28_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    29_A     N    29_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    30_A     A    30_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    31_A     V    31_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    33_A     W    33_A    121  125  126     37   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    34_A     T    34_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    35_A     R    35_A    121  125  126     38   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A    121  125  126     34   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    37_A     V    37_A    121  125  126     38   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    38_A     Q    38_A    121  125  126     38   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    39_A     A    39_A    121  125  126     38   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    40_A     F    40_A    121  125  126     39   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_A     Q    41_A    121  125  126     38   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    42_A     S    42_A    121  125  126     41   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    43_A     G    43_A    121  125  126     46   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    44_A     D    44_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    45_A     Q    45_A    121  125  126     30   81  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    46_A     S    46_A    121  125  126     31   76  103  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    47_A     T    47_A    121  125  126     42   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A    121  125  126     30   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    49_A     D    49_A    121  125  126     38   81  106  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    50_A     S    50_A    121  125  126     39   81  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    51_A     L    51_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    52_A     L    52_A    121  125  126     42   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    53_A     K    53_A    121  125  126     42   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    54_A     Q    54_A    121  125  126     44   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    55_A     L    55_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    56_A     D    56_A    121  125  126     42   82  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    57_A     A    57_A    121  125  126     42   82  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    58_A     N    58_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A    121  125  126     42   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    60_A     A    60_A    121  125  126     42   82  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    61_A     R    61_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    62_A     V    62_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    63_A     E    63_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    64_A     Q    64_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    65_A     L    65_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    66_A     L    66_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    67_A     Q    67_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    68_A     R    68_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    69_A     I    69_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    70_A     I    70_A    121  125  126     19   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    71_A     S    71_A    121  125  126     19   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    72_A     E    72_A    121  125  126     18   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    73_A     T    73_A    121  125  126     18   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    74_A     G    74_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_A     D    75_A    121  125  126     10   27  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    76_A     E    76_A    121  125  126     13   57  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    77_A     L    77_A    121  125  126     19   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    78_A     A    78_A    121  125  126     12   77  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    79_A     R    79_A    121  125  126     12   43  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    80_A     K    80_A    121  125  126     12   77  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    81_A     G    81_A    121  125  126     10   69  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    82_A     E    82_A    121  125  126     10   27   90  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    83_A     S    83_A    121  125  126     10   27   99  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    84_A     L    84_A    121  125  126     12   58  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    85_A     F    85_A    121  125  126     10   27   99  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    86_A     Q    86_A    121  125  126     12   58  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    87_A     R    87_A    121  125  126     12   74  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    88_A     N    88_A    121  125  126     12   57  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    89_A     Q    89_A    121  125  126     13   75  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    90_A     Q    90_A    121  125  126     12   75  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    91_A     L    91_A    121  125  126     17   75  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    92_A     F    92_A    121  125  126     12   58  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    93_A     S    93_A    121  125  126     12   57  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    94_A     Q    94_A    121  125  126     21   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    95_A     L    95_A    121  125  126     12   57  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    96_A     K    96_A    121  125  126     12   43  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    97_A     T    97_A    121  125  126     12   54  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    98_A     L    98_A    121  125  126     12   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    99_A     F    99_A    121  125  126     12   23  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   100_A     S   100_A    121  125  126     12   22  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   101_A     Q   101_A    121  125  126     12   70  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   102_A     G   102_A    121  125  126     11   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D   103_A     D   103_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E   104_A     E   104_A    121  125  126     10   80  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D   105_A     D   105_A    121  125  126     30   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   106_A     T   106_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   107_A     A   107_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K   108_A     K   108_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   111_A     L   111_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E   112_A     E   112_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E   113_A     E   113_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   114_A     I   114_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   115_A     Q   115_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   116_A     S   116_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   117_A     N   117_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   118_A     L   118_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   119_A     N   119_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   120_A     Q   120_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   121_A     I   121_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_A     Q   122_A    121  125  126     24   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   123_A     Q   123_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   124_A     I   124_A    121  125  126     46   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   125_A     I   125_A    121  125  126     48   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   126_A     T   126_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E   127_A     E   127_A    121  125  126     20   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A    121  125  126     11   83  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   129_A     Q   129_A    121  125  126     11   32  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K   130_A     K   130_A    121  125  126     11   32  110  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   131_A     R   131_A    121  125  126     11   74  111  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   132_A     L   132_A    121  125  126      5   25   99  121  121  121  121  121  122  122  122  123  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  92.51  (  88.12   93.97   95.45 )

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     48     83    111    121    121    121    121    121    122    122    122    123    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  36.36  62.88  84.09  91.67  91.67  91.67  91.67  91.67  92.42  92.42  92.42  93.18  93.94  94.70  94.70  94.70  94.70  94.70  94.70  94.70
GDT RMS_LOCAL    0.38   0.60   0.87   0.98   0.98   0.98   0.98   0.98   1.19   1.19   1.19   1.49   1.71   1.99   1.99   1.99   1.99   1.99   1.99   1.99
GDT RMS_ALL_AT   2.67   2.67   2.66   2.67   2.67   2.67   2.67   2.67   2.62   2.62   2.62   2.57   2.54   2.50   2.50   2.50   2.50   2.50   2.50   2.50

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    18.640     0    0.668   0.945    25.409    0.000    0.000
LGA    N     8_A      N     8_A    12.555     0    0.547   0.854    14.733    0.000    0.060
LGA    L     9_A      L     9_A    10.405     0    0.642   0.625    13.402    0.476    0.238
LGA    Y    10_A      Y    10_A    10.414     0    0.425   1.351    20.543    1.071    0.357
LGA    F    11_A      F    11_A     7.683     0    0.609   0.491    16.477   14.405    5.368
LGA    Q    12_A      Q    12_A     0.545     0    0.600   1.021     4.505   82.738   65.714
LGA    S    13_A      S    13_A     0.636     0    0.071   0.653     1.512   90.476   87.540
LGA    S    14_A      S    14_A     0.485     0    0.073   0.644     2.072   97.619   90.952
LGA    A    15_A      A    15_A     0.231     0    0.021   0.023     0.329  100.000  100.000
LGA    K    16_A      K    16_A     0.301     0    0.031   0.677     2.566  100.000   91.058
LGA    Q    17_A      Q    17_A     0.158     0    0.008   1.433     5.287  100.000   76.032
LGA    D    18_A      D    18_A     0.290     0    0.024   0.039     0.404  100.000  100.000
LGA    F    19_A      F    19_A     0.301     0    0.030   0.106     0.614  100.000   98.268
LGA    A    20_A      A    20_A     0.207     0    0.006   0.010     0.247  100.000  100.000
LGA    E    21_A      E    21_A     0.283     0    0.022   0.087     0.463  100.000  100.000
LGA    G    22_A      G    22_A     0.276     0    0.019   0.019     0.382  100.000  100.000
LGA    V    23_A      V    23_A     0.387     0    0.029   0.047     0.648  100.000   98.639
LGA    K    24_A      K    24_A     0.252     0    0.012   0.061     0.383  100.000  100.000
LGA    L    25_A      L    25_A     0.260     0    0.009   0.034     0.361  100.000  100.000
LGA    W    26_A      W    26_A     0.248     0    0.038   1.249     8.889   97.619   51.054
LGA    Q    27_A      Q    27_A     0.376     0    0.033   0.098     0.462  100.000  100.000
LGA    E    28_A      E    28_A     0.399     0    0.017   0.117     0.960  100.000   95.767
LGA    N    29_A      N    29_A     0.369     0    0.014   0.071     0.403  100.000  100.000
LGA    A    30_A      A    30_A     0.376     0    0.019   0.018     0.425  100.000  100.000
LGA    V    31_A      V    31_A     0.357     0    0.014   0.018     0.427  100.000  100.000
LGA    L    32_A      L    32_A     0.323     0    0.012   0.027     0.423  100.000  100.000
LGA    W    33_A      W    33_A     0.467     0    0.041   1.598     5.901  100.000   73.605
LGA    T    34_A      T    34_A     0.519     0    0.023   0.032     0.787   92.857   91.837
LGA    R    35_A      R    35_A     0.564     0    0.006   1.673     8.549   90.476   55.541
LGA    L    36_A      L    36_A     0.649     0    0.019   0.793     2.222   90.476   86.131
LGA    V    37_A      V    37_A     0.979     0    0.029   0.043     1.399   88.214   85.306
LGA    Q    38_A      Q    38_A     0.966     0    0.019   0.167     1.665   90.476   82.593
LGA    A    39_A      A    39_A     0.384     0    0.025   0.030     0.590   97.619   98.095
LGA    F    40_A      F    40_A     0.757     0    0.040   0.144     1.319   90.476   84.719
LGA    Q    41_A      Q    41_A     0.971     0    0.031   0.048     2.284   90.476   80.741
LGA    S    42_A      S    42_A     0.467     0    0.098   0.630     2.731   95.238   88.095
LGA    G    43_A      G    43_A     0.643     0    0.031   0.031     1.137   90.595   90.595
LGA    D    44_A      D    44_A     0.803     0    0.076   0.092     1.296   88.214   85.952
LGA    Q    45_A      Q    45_A     1.501     0    0.023   0.859     2.810   75.000   69.418
LGA    S    46_A      S    46_A     1.786     0    0.058   0.673     2.021   77.143   74.365
LGA    T    47_A      T    47_A     1.132     0    0.008   0.033     1.349   85.952   85.306
LGA    V    48_A      V    48_A     0.966     0    0.019   0.047     1.385   85.952   84.014
LGA    D    49_A      D    49_A     1.629     0    0.011   0.872     4.864   75.000   60.595
LGA    S    50_A      S    50_A     1.486     0    0.023   0.026     1.842   79.286   77.143
LGA    L    51_A      L    51_A     0.832     0    0.023   0.050     1.073   88.214   90.536
LGA    L    52_A      L    52_A     1.055     0    0.029   0.119     1.497   83.690   82.560
LGA    K    53_A      K    53_A     1.258     0    0.005   0.616     1.308   81.429   81.429
LGA    Q    54_A      Q    54_A     0.992     0    0.010   0.137     1.306   88.214   86.455
LGA    L    55_A      L    55_A     0.690     0    0.013   0.057     0.962   90.476   94.048
LGA    D    56_A      D    56_A     1.304     0    0.000   0.813     3.128   81.429   71.310
LGA    A    57_A      A    57_A     1.297     0    0.010   0.012     1.367   81.429   81.429
LGA    N    58_A      N    58_A     0.646     0    0.014   0.059     0.842   90.476   91.667
LGA    A    59_A      A    59_A     0.960     0    0.014   0.013     1.166   85.952   85.048
LGA    A    60_A      A    60_A     1.249     0    0.028   0.032     1.526   85.952   83.333
LGA    R    61_A      R    61_A     0.662     0    0.014   0.183     1.891   92.857   85.714
LGA    V    62_A      V    62_A     0.466     0    0.047   1.130     2.798   95.238   86.122
LGA    E    63_A      E    63_A     0.755     0    0.019   0.873     2.938   90.476   81.958
LGA    Q    64_A      Q    64_A     0.903     0    0.018   0.094     1.477   90.476   86.455
LGA    L    65_A      L    65_A     0.524     0    0.022   0.033     0.652   90.476   95.238
LGA    L    66_A      L    66_A     0.700     0    0.035   1.408     3.449   90.476   78.036
LGA    Q    67_A      Q    67_A     0.647     0    0.013   0.213     0.960   92.857   91.534
LGA    R    68_A      R    68_A     0.375     0    0.028   0.061     0.489  100.000  100.000
LGA    I    69_A      I    69_A     0.494     0    0.006   0.047     0.624   95.238   92.857
LGA    I    70_A      I    70_A     0.752     0    0.042   0.049     0.934   90.476   90.476
LGA    S    71_A      S    71_A     0.693     0    0.011   0.015     0.847   90.476   90.476
LGA    E    72_A      E    72_A     0.701     0    0.127   0.965     4.118   90.476   78.201
LGA    T    73_A      T    73_A     0.863     0    0.131   1.143     3.433   88.214   79.728
LGA    G    74_A      G    74_A     0.866     0    0.132   0.132     1.082   88.214   88.214
LGA    D    75_A      D    75_A     1.487     0    0.073   0.634     4.018   81.429   72.738
LGA    E    76_A      E    76_A     1.566     0    0.048   1.036     6.882   79.286   55.661
LGA    L    77_A      L    77_A     0.813     0    0.028   0.060     1.059   88.214   89.345
LGA    A    78_A      A    78_A     1.134     0    0.027   0.035     1.324   81.429   81.429
LGA    R    79_A      R    79_A     1.551     0    0.018   1.504     7.631   77.143   51.299
LGA    K    80_A      K    80_A     1.126     0    0.034   0.071     1.271   81.429   82.434
LGA    G    81_A      G    81_A     1.243     0    0.097   0.097     1.620   79.286   79.286
LGA    E    82_A      E    82_A     1.845     0    0.017   0.062     2.449   70.833   68.360
LGA    S    83_A      S    83_A     1.973     0    0.062   0.673     2.914   72.857   70.238
LGA    L    84_A      L    84_A     1.390     0    0.014   0.042     1.558   77.143   80.417
LGA    F    85_A      F    85_A     1.747     0    0.037   0.685     4.462   72.857   62.641
LGA    Q    86_A      Q    86_A     1.637     0    0.056   0.185     2.476   77.143   71.164
LGA    R    87_A      R    87_A     1.366     0    0.006   1.368     8.492   81.429   53.896
LGA    N    88_A      N    88_A     1.490     0    0.046   0.769     2.229   81.429   77.202
LGA    Q    89_A      Q    89_A     1.239     0    0.024   0.194     1.326   81.429   86.508
LGA    Q    90_A      Q    90_A     1.303     0    0.018   0.070     1.372   81.429   81.429
LGA    L    91_A      L    91_A     1.278     0    0.062   0.090     1.342   81.429   81.429
LGA    F    92_A      F    92_A     1.325     0    0.016   0.172     1.387   81.429   86.364
LGA    S    93_A      S    93_A     1.434     0    0.087   0.684     1.985   81.429   78.571
LGA    Q    94_A      Q    94_A     0.899     0    0.020   0.892     3.752   88.214   76.032
LGA    L    95_A      L    95_A     1.351     0    0.018   1.397     2.927   81.429   76.369
LGA    K    96_A      K    96_A     1.464     0    0.038   0.849     5.189   81.429   60.317
LGA    T    97_A      T    97_A     1.204     0    0.028   0.027     1.273   81.429   81.429
LGA    L    98_A      L    98_A     0.803     0    0.021   0.079     1.001   88.214   92.917
LGA    F    99_A      F    99_A     1.339     0    0.061   0.290     1.898   81.429   78.312
LGA    S   100_A      S   100_A     1.491     0    0.014   0.024     1.683   79.286   77.143
LGA    Q   101_A      Q   101_A     1.190     0    0.011   0.071     1.478   81.429   82.434
LGA    G   102_A      G   102_A     0.884     0    0.044   0.044     0.933   90.476   90.476
LGA    D   103_A      D   103_A     0.631     0    0.146   0.553     2.299   92.857   84.048
LGA    E   104_A      E   104_A     1.075     0    0.021   0.043     2.073   88.214   79.735
LGA    D   105_A      D   105_A     0.634     0    0.027   0.051     1.223   90.476   89.345
LGA    T   106_A      T   106_A     0.519     0    0.033   0.089     0.627   92.857   91.837
LGA    A   107_A      A   107_A     0.556     0    0.023   0.023     0.599   90.476   90.476
LGA    K   108_A      K   108_A     0.614     0    0.012   0.062     0.693   90.476   91.534
LGA    A   109_A      A   109_A     0.666     0    0.017   0.019     0.666   90.476   90.476
LGA    V   110_A      V   110_A     0.494     0    0.014   0.042     0.617   92.857   95.918
LGA    L   111_A      L   111_A     0.615     0    0.028   0.046     0.716   90.476   90.476
LGA    E   112_A      E   112_A     0.590     0    0.013   0.052     0.848   90.476   90.476
LGA    E   113_A      E   113_A     0.725     0    0.018   0.104     1.393   90.476   88.466
LGA    I   114_A      I   114_A     0.682     0    0.028   0.049     0.721   90.476   90.476
LGA    Q   115_A      Q   115_A     0.457     0    0.019   0.840     3.677   92.857   81.058
LGA    S   116_A      S   116_A     0.621     0    0.067   0.676     2.632   90.476   84.921
LGA    N   117_A      N   117_A     0.738     0    0.007   0.851     2.475   90.476   83.929
LGA    L   118_A      L   118_A     0.796     0    0.021   0.028     1.108   90.476   88.214
LGA    N   119_A      N   119_A     0.633     0    0.026   0.084     1.019   90.476   89.345
LGA    Q   120_A      Q   120_A     0.482     0    0.007   0.231     1.219   92.857   90.529
LGA    I   121_A      I   121_A     0.642     0    0.032   0.078     1.083   90.476   89.345
LGA    Q   122_A      Q   122_A     0.774     0    0.018   1.152     5.805   90.476   71.852
LGA    Q   123_A      Q   123_A     0.696     0    0.020   0.056     1.294   90.476   88.466
LGA    I   124_A      I   124_A     0.484     0    0.007   0.037     1.260  100.000   92.976
LGA    I   125_A      I   125_A     0.840     0    0.018   0.047     1.391   90.476   85.952
LGA    T   126_A      T   126_A     1.001     0    0.011   0.028     1.255   85.952   84.014
LGA    E   127_A      E   127_A     0.813     0    0.022   0.103     1.132   88.214   89.471
LGA    A   128_A      A   128_A     0.901     0    0.021   0.020     1.205   85.952   86.857
LGA    Q   129_A      Q   129_A     1.482     0    0.014   0.123     2.422   77.143   73.016
LGA    K   130_A      K   130_A     1.614     0    0.051   0.599     1.996   75.000   75.714
LGA    R   131_A      R   131_A     1.444     0    0.056   0.918     4.671   77.143   71.645
LGA    L   132_A      L   132_A     1.990     0    0.091   0.167     3.376   63.214   61.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1012   1012  100.00               132
SUMMARY(RMSD_GDC):     2.485          2.385                  3.321           81.259   77.087

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  132    4.0    121    0.98    85.227    89.907    11.252

LGA_LOCAL      RMSD:   0.975  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.667  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.485  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.931228 * X  +  -0.362442 * Y  +   0.038081 * Z  +  10.906241
  Y_new =   0.263435 * X  +  -0.741663 * Y  +  -0.616878 * Z  +  17.659588
  Z_new =   0.251825 * X  +  -0.564422 * Y  +   0.786137 * Z  +   3.318316 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.865906 -0.254566 -0.622684   [DEG:  164.2043  -14.5855  -35.6772 ]
ZXZ:  0.061653  0.666262  2.721933   [DEG:    3.5325   38.1740  155.9553 ]
 
# END of job
