
#######################################################
#                                                     #
#                        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 ( 1011),  selected  126 , name one
# Molecule2: number of CA atoms  205 ( 1624),  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       3_A - 128_A       1.97     1.97
  LCS_AVERAGE:     61.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       3_A - 128_A       1.97     1.97
  LCS_AVERAGE:     61.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      51_A - 93_A        1.00     2.13
  LCS_AVERAGE:     17.82

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     N     3_A     N     3_A      3  126  126      0    3   16   63   77   93  117  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I     4_A     I     4_A     42  126  126      7   24   82  109  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E     5_A     E     5_A     42  126  126     13   70   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     V     6_A     V     6_A     42  126  126     21   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A     7_A     A     7_A     42  126  126     12   70   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R     8_A     R     8_A     42  126  126     12   70   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A     9_A     A     9_A     42  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    10_A     A    10_A     42  126  126     25   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R    11_A     R    11_A     42  126  126     25   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    12_A     L    12_A     42  126  126     23   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    13_A     A    13_A     42  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Q    14_A     Q    14_A     42  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    15_A     I    15_A     42  126  126     12   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     F    16_A     F    16_A     42  126  126     17   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    17_A     K    17_A     42  126  126     17   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E    18_A     E    18_A     42  126  126     17   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    19_A     I    19_A     42  126  126     27   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     C    20_A     C    20_A     42  126  126     27   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    21_A     D    21_A     42  126  126     27   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     G    22_A     G    22_A     42  126  126     28   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    23_A     I    23_A     42  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    24_A     I    24_A     42  126  126     23   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S    25_A     S    25_A     42  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    26_A     Y    26_A     42  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R    27_A     R    27_A     42  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    28_A     D    28_A     42  126  126     33   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S    29_A     S    29_A     42  126  126      5   51   96  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S    30_A     S    30_A     42  126  126      5   60   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Q    31_A     Q    31_A     42  126  126      8   62   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Q    32_A     Q    32_A     42  126  126     15   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     T    33_A     T    33_A     42  126  126     15   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    34_A     L    34_A     42  126  126     23   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    35_A     A    35_A     42  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    36_A     A    36_A     42  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     P    37_A     P    37_A     42  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    38_A     L    38_A     42  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    39_A     L    39_A     42  126  126     13   71   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     N    40_A     N    40_A     42  126  126     27   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    41_A     L    41_A     42  126  126     23   74   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     P    42_A     P    42_A     42  126  126     28   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     P    43_A     P    43_A     42  126  126      5   37   95  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    44_A     K    44_A     42  126  126     18   72   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    45_A     K    45_A     42  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    46_A     K    46_A     42  126  126      5   59   97  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     N    47_A     N    47_A     19  126  126     16   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    48_A     A    48_A     19  126  126      5   71   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    49_A     D    49_A     19  126  126      5   49   92  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    50_A     Y    50_A     41  126  126      5   70   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    51_A     Y    51_A     43  126  126     23   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E    52_A     E    52_A     43  126  126      6   40   94  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    53_A     K    53_A     43  126  126      3   13   61  102  115  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    54_A     I    54_A     43  126  126     16   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S    55_A     S    55_A     43  126  126      3   21   54   95  115  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    56_A     D    56_A     43  126  126      7   45   95  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     P    57_A     P    57_A     43  126  126     10   38   95  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    58_A     L    58_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    59_A     D    59_A     43  126  126     23   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    60_A     L    60_A     43  126  126     28   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S    61_A     S    61_A     43  126  126     11   72   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     T    62_A     T    62_A     43  126  126     15   72   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    63_A     I    63_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E    64_A     E    64_A     43  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    65_A     K    65_A     43  126  126     17   72   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Q    66_A     Q    66_A     43  126  126     28   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    67_A     I    67_A     43  126  126     25   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    68_A     L    68_A     43  126  126     11   72   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    69_A     I    69_A     43  126  126     19   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     G    70_A     G    70_A     43  126  126     28   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    71_A     Y    71_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    72_A     Y    72_A     43  126  126     11   73   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    73_A     K    73_A     43  126  126     13   59   97  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     T    74_A     T    74_A     43  126  126     16   69   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     V    75_A     V    75_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E    76_A     E    76_A     43  126  126     13   74   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    77_A     A    77_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     F    78_A     F    78_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    79_A     D    79_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    80_A     A    80_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D    81_A     D    81_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     M    82_A     M    82_A     43  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L    83_A     L    83_A     43  126  126     25   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    84_A     K    84_A     43  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     V    85_A     V    85_A     43  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     F    86_A     F    86_A     43  126  126     20   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R    87_A     R    87_A     43  126  126     22   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     N    88_A     N    88_A     43  126  126     16   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A    89_A     A    89_A     43  126  126     19   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E    90_A     E    90_A     43  126  126     16   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    91_A     K    91_A     43  126  126     17   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    92_A     Y    92_A     43  126  126      4   60   97  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y    93_A     Y    93_A     43  126  126     14   74   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     G    94_A     G    94_A     41  126  126      3    8   17  101  115  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R    95_A     R    95_A      4  126  126      3    4    4    6    8   29   61   86  118  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K    96_A     K    96_A      4  126  126      3    4   14   46   85  108  117  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S    97_A     S    97_A      4  126  126      3    5   15   29   68  105  112  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     P    98_A     P    98_A      4  126  126      3   17   24   30   94  111  117  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I    99_A     I    99_A     28  126  126      9   55   97  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     G   100_A     G   100_A     28  126  126      7   42   97  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R   101_A     R   101_A     28  126  126      7   64   97  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D   102_A     D   102_A     28  126  126     28   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     V   103_A     V   103_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     C   104_A     C   104_A     28  126  126      7   71   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R   105_A     R   105_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     L   106_A     L   106_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R   107_A     R   107_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     K   108_A     K   108_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A   109_A     A   109_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y   110_A     Y   110_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Y   111_A     Y   111_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S   112_A     S   112_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A   113_A     A   113_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     R   114_A     R   114_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     H   115_A     H   115_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E   116_A     E   116_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A   117_A     A   117_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     S   118_A     S   118_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     A   119_A     A   119_A     28  126  126     11   61   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     Q   120_A     Q   120_A     28  126  126     33   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I   121_A     I   121_A     28  126  126     25   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     D   122_A     D   122_A     28  126  126     13   56   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E   123_A     E   123_A     28  126  126     21   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     I   124_A     I   124_A     28  126  126     25   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     V   125_A     V   125_A     28  126  126     16   75   98  111  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     G   126_A     G   126_A     28  126  126     12   24   82  107  116  119  119  120  123  123  124  124  124  125  126  126  126  126  126  126 
LCS_GDT     E   127_A     E   127_A      3  126  126      3    3    4    4    5    6    9   19   22   38   67  106  124  125  126  126  126  126  126  126 
LCS_GDT     T   128_A     T   128_A      3  126  126      3    3    3    6   12   20   35   59   81  101  111  123  124  125  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  46.92  (  17.82   61.46   61.46 )

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     33     75     98    111    116    119    119    120    123    123    124    124    124    125    126    126    126    126    126    126 
GDT PERCENT_AT  16.10  36.59  47.80  54.15  56.59  58.05  58.05  58.54  60.00  60.00  60.49  60.49  60.49  60.98  61.46  61.46  61.46  61.46  61.46  61.46
GDT RMS_LOCAL    0.37   0.67   0.85   1.02   1.11   1.20   1.20   1.28   1.53   1.53   1.62   1.62   1.62   1.91   1.97   1.97   1.97   1.97   1.97   1.97
GDT RMS_ALL_AT   2.10   2.01   2.01   2.01   2.00   1.99   1.99   1.98   1.99   1.99   1.99   1.99   1.99   1.97   1.97   1.97   1.97   1.97   1.97   1.97

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     3_A      N     3_A     5.529     0    0.323   1.185    11.755   32.024   17.262
LGA    I     4_A      I     4_A     2.446     0    0.634   1.489     7.184   64.762   40.714
LGA    E     5_A      E     5_A     1.694     0    0.033   0.935     2.518   72.857   69.312
LGA    V     6_A      V     6_A     1.273     0    0.074   1.249     2.426   83.690   77.959
LGA    A     7_A      A     7_A     1.606     0    0.023   0.045     1.894   77.143   76.286
LGA    R     8_A      R     8_A     1.449     0    0.035   1.405     4.347   81.429   65.152
LGA    A     9_A      A     9_A     0.893     0    0.083   0.101     1.122   88.214   88.667
LGA    A    10_A      A    10_A     0.809     0    0.072   0.070     1.136   90.476   88.667
LGA    R    11_A      R    11_A     0.724     0    0.093   1.042     3.023   95.238   79.134
LGA    L    12_A      L    12_A     0.450     0    0.071   0.223     0.792  100.000   96.429
LGA    A    13_A      A    13_A     0.210     0    0.077   0.095     0.509  100.000   98.095
LGA    Q    14_A      Q    14_A     0.874     0    0.094   1.099     6.498   88.214   64.656
LGA    I    15_A      I    15_A     1.028     0    0.064   0.579     2.105   88.214   80.595
LGA    F    16_A      F    16_A     0.671     0    0.020   0.189     1.027   88.214   92.251
LGA    K    17_A      K    17_A     0.762     0    0.031   0.829     2.908   90.476   86.825
LGA    E    18_A      E    18_A     0.874     0    0.066   0.857     3.951   90.476   72.540
LGA    I    19_A      I    19_A     0.750     0    0.034   0.155     1.248   90.476   89.345
LGA    C    20_A      C    20_A     0.705     0    0.045   0.757     3.280   90.476   83.730
LGA    D    21_A      D    21_A     0.759     0    0.039   0.926     3.818   92.857   76.548
LGA    G    22_A      G    22_A     0.541     0    0.075   0.075     0.643   92.857   92.857
LGA    I    23_A      I    23_A     0.449     0    0.034   0.501     1.476  100.000   92.976
LGA    I    24_A      I    24_A     0.662     0    0.041   0.105     1.055   92.857   89.405
LGA    S    25_A      S    25_A     0.798     0    0.293   0.274     2.154   88.214   81.746
LGA    Y    26_A      Y    26_A     0.470     0    0.022   0.069     1.404   97.619   90.635
LGA    R    27_A      R    27_A     0.719     0    0.054   0.819     5.162   88.214   62.597
LGA    D    28_A      D    28_A     0.999     0    0.041   1.103     4.304   85.952   73.988
LGA    S    29_A      S    29_A     2.298     0    0.053   0.628     5.073   66.786   58.413
LGA    S    30_A      S    30_A     2.167     0    0.041   0.075     2.602   68.810   66.190
LGA    Q    31_A      Q    31_A     1.799     0    0.045   0.859     4.931   72.857   58.360
LGA    Q    32_A      Q    32_A     1.072     0    0.038   0.904     4.636   83.690   67.566
LGA    T    33_A      T    33_A     1.004     0    0.020   0.284     1.937   85.952   84.082
LGA    L    34_A      L    34_A     0.456     0    0.019   0.194     0.957   95.238   94.048
LGA    A    35_A      A    35_A     0.959     0    0.126   0.118     1.441   90.476   88.667
LGA    A    36_A      A    36_A     0.882     0    0.032   0.051     0.982   90.476   90.476
LGA    P    37_A      P    37_A     0.963     0    0.050   0.167     1.280   85.952   85.306
LGA    L    38_A      L    38_A     0.972     0    0.039   1.096     3.308   90.476   81.071
LGA    L    39_A      L    39_A     1.159     0    0.183   1.402     2.719   85.952   78.631
LGA    N    40_A      N    40_A     1.117     0    0.108   1.347     6.030   88.214   63.929
LGA    L    41_A      L    41_A     1.025     0    0.048   0.278     2.170   81.548   78.333
LGA    P    42_A      P    42_A     1.149     0    0.090   0.274     1.800   79.286   84.082
LGA    P    43_A      P    43_A     2.195     0    0.137   0.305     3.453   72.976   66.259
LGA    K    44_A      K    44_A     1.595     0    0.062   0.730     3.150   79.405   70.635
LGA    K    45_A      K    45_A     0.831     0    0.046   1.108     3.006   88.214   77.249
LGA    K    46_A      K    46_A     1.862     0    0.342   1.101     2.920   77.143   74.180
LGA    N    47_A      N    47_A     1.310     0    0.055   1.018     2.688   79.286   76.250
LGA    A    48_A      A    48_A     1.293     0    0.062   0.083     1.530   79.286   79.714
LGA    D    49_A      D    49_A     1.940     0    0.103   1.193     5.872   72.857   58.869
LGA    Y    50_A      Y    50_A     1.280     0    0.035   0.476     4.089   83.810   67.143
LGA    Y    51_A      Y    51_A     0.437     0    0.110   0.532     2.609   86.190   76.151
LGA    E    52_A      E    52_A     2.070     0    0.064   1.235     7.292   67.024   50.265
LGA    K    53_A      K    53_A     2.997     0    0.080   0.906     5.111   59.167   49.418
LGA    I    54_A      I    54_A     0.920     0    0.219   0.203     1.717   81.548   80.476
LGA    S    55_A      S    55_A     3.071     0    0.253   0.230     4.191   57.262   50.556
LGA    D    56_A      D    56_A     1.886     0    0.114   0.480     2.541   77.381   77.619
LGA    P    57_A      P    57_A     1.840     0    0.637   0.541     4.404   61.905   64.286
LGA    L    58_A      L    58_A     0.733     0    0.080   1.234     3.163   86.071   77.738
LGA    D    59_A      D    59_A     0.774     0    0.195   0.713     2.105   92.857   83.988
LGA    L    60_A      L    60_A     0.245     0    0.045   0.960     2.120  100.000   87.679
LGA    S    61_A      S    61_A     1.322     0    0.071   0.641     1.981   83.690   84.603
LGA    T    62_A      T    62_A     1.425     0    0.034   0.122     2.287   85.952   78.027
LGA    I    63_A      I    63_A     0.515     0    0.041   0.075     1.220   95.238   90.595
LGA    E    64_A      E    64_A     0.598     0    0.099   0.564     1.571   92.857   89.577
LGA    K    65_A      K    65_A     1.185     0    0.094   1.218     3.045   88.214   77.196
LGA    Q    66_A      Q    66_A     0.719     0    0.072   0.341     1.963   90.476   84.550
LGA    I    67_A      I    67_A     0.520     0    0.031   0.150     1.057   92.857   90.536
LGA    L    68_A      L    68_A     1.020     0    0.032   0.244     2.572   88.214   77.560
LGA    I    69_A      I    69_A     0.963     0    0.139   0.142     2.448   88.214   79.524
LGA    G    70_A      G    70_A     0.668     0    0.101   0.101     0.952   90.476   90.476
LGA    Y    71_A      Y    71_A     0.651     0    0.026   0.168     1.514   90.476   84.484
LGA    Y    72_A      Y    72_A     1.165     0    0.589   0.451     3.022   73.571   78.175
LGA    K    73_A      K    73_A     1.874     0    0.125   0.710     4.271   70.833   55.185
LGA    T    74_A      T    74_A     1.417     0    0.063   0.175     2.219   85.952   79.184
LGA    V    75_A      V    75_A     0.516     0    0.033   1.126     2.549   90.476   83.401
LGA    E    76_A      E    76_A     1.194     0    0.095   0.981     5.364   88.214   65.344
LGA    A    77_A      A    77_A     0.815     0    0.043   0.045     1.057   90.476   88.667
LGA    F    78_A      F    78_A     0.371     0    0.047   0.268     1.438   97.619   92.338
LGA    D    79_A      D    79_A     0.312     0    0.048   0.597     1.749  100.000   94.286
LGA    A    80_A      A    80_A     0.428     0    0.047   0.064     0.629  100.000   98.095
LGA    D    81_A      D    81_A     0.706     0    0.030   0.575     2.127   90.476   85.000
LGA    M    82_A      M    82_A     0.742     0    0.036   0.568     2.119   90.476   85.000
LGA    L    83_A      L    83_A     0.504     0    0.086   0.135     0.949   90.476   92.857
LGA    K    84_A      K    84_A     0.281     0    0.064   0.762     2.769   97.619   91.058
LGA    V    85_A      V    85_A     0.790     0    0.039   1.051     2.560   90.476   83.197
LGA    F    86_A      F    86_A     0.685     0    0.028   0.362     0.874   90.476   93.074
LGA    R    87_A      R    87_A     0.626     0    0.054   1.392     4.282   90.476   75.411
LGA    N    88_A      N    88_A     1.035     0    0.057   1.201     3.816   88.214   78.988
LGA    A    89_A      A    89_A     0.802     0    0.069   0.090     0.875   90.476   90.476
LGA    E    90_A      E    90_A     0.810     0    0.054   0.689     1.967   88.214   85.556
LGA    K    91_A      K    91_A     0.787     0    0.103   0.650     1.758   85.952   84.497
LGA    Y    92_A      Y    92_A     1.568     0    0.179   0.310     5.346   81.548   54.960
LGA    Y    93_A      Y    93_A     1.078     0    0.034   0.223     2.069   75.119   82.381
LGA    G    94_A      G    94_A     2.935     0    0.278   0.278     5.711   45.119   45.119
LGA    R    95_A      R    95_A     6.253     0    0.196   1.494    10.025   17.619    8.009
LGA    K    96_A      K    96_A     5.799     0    0.020   1.229     7.525   21.786   18.783
LGA    S    97_A      S    97_A     5.330     0    0.298   0.734     7.427   34.524   26.905
LGA    P    98_A      P    98_A     5.159     0    0.218   0.334     7.871   33.214   23.333
LGA    I    99_A      I    99_A     2.003     0    0.175   1.271     2.882   66.905   68.929
LGA    G   100_A      G   100_A     1.966     0    0.108   0.108     1.966   75.000   75.000
LGA    R   101_A      R   101_A     1.872     0    0.083   1.288     7.892   75.119   47.792
LGA    D   102_A      D   102_A     0.647     0    0.055   0.737     2.459   88.214   81.667
LGA    V   103_A      V   103_A     0.897     0    0.092   0.191     1.373   88.214   85.306
LGA    C   104_A      C   104_A     1.316     0    0.073   0.639     1.580   81.429   78.571
LGA    R   105_A      R   105_A     0.891     0    0.040   0.660     2.711   90.476   77.965
LGA    L   106_A      L   106_A     0.913     0    0.063   0.201     0.952   90.476   91.667
LGA    R   107_A      R   107_A     0.711     0    0.049   1.357     5.244   95.238   74.199
LGA    K   108_A      K   108_A     0.361     0    0.038   0.659     2.279   97.619   86.931
LGA    A   109_A      A   109_A     0.678     0    0.109   0.107     1.052   90.476   88.667
LGA    Y   110_A      Y   110_A     0.502     0    0.032   0.341     1.140   90.476   90.516
LGA    Y   111_A      Y   111_A     0.550     0    0.050   0.193     2.063   95.238   83.254
LGA    S   112_A      S   112_A     0.133     0    0.024   0.740     2.518  100.000   92.857
LGA    A   113_A      A   113_A     0.322     0    0.049   0.051     0.496  100.000  100.000
LGA    R   114_A      R   114_A     0.130     0    0.064   1.009     3.137  100.000   83.983
LGA    H   115_A      H   115_A     0.454     0    0.025   1.142     2.809   95.238   85.667
LGA    E   116_A      E   116_A     0.689     0    0.070   1.167     3.858   92.857   79.735
LGA    A   117_A      A   117_A     0.594     0    0.098   0.095     0.734   90.476   90.476
LGA    S   118_A      S   118_A     0.516     0    0.059   0.634     2.119   90.476   86.190
LGA    A   119_A      A   119_A     1.472     0    0.077   0.090     2.062   83.690   79.905
LGA    Q   120_A      Q   120_A     0.738     0    0.031   1.530     6.053   95.238   68.995
LGA    I   121_A      I   121_A     0.545     0    0.026   0.127     1.094   90.595   90.536
LGA    D   122_A      D   122_A     1.475     0    0.029   0.886     4.070   81.548   66.190
LGA    E   123_A      E   123_A     0.927     0    0.089   0.796     2.939   90.476   79.101
LGA    I   124_A      I   124_A     0.455     0    0.063   0.216     1.023   95.238   94.107
LGA    V   125_A      V   125_A     0.708     0    0.071   1.078     3.107   86.190   79.728
LGA    G   126_A      G   126_A     2.512     0    0.460   0.460     7.012   41.548   41.548
LGA    E   127_A      E   127_A     9.561     0    0.249   0.804    16.975    3.571    1.587
LGA    T   128_A      T   128_A     8.668     0    0.348   0.851     8.668    4.286    5.918

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1011   1011  100.00               205
SUMMARY(RMSD_GDC):     1.969          1.975                  2.692           50.592   46.338

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  205    4.0    120    1.28    52.683    56.838     8.664

LGA_LOCAL      RMSD:   1.285  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.985  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.969  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.916507 * X  +  -0.056417 * Y  +   0.396021 * Z  +  31.311560
  Y_new =   0.147360 * X  +  -0.872764 * Y  +  -0.465368 * Z  +  32.629585
  Z_new =   0.371887 * X  +   0.484871 * Y  +  -0.791581 * Z  +  21.138811 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.159420 -0.381041  2.592007   [DEG:    9.1341  -21.8321  148.5111 ]
ZXZ:  0.705064  2.484188  0.654281   [DEG:   40.3972  142.3335   37.4875 ]
 
# END of job
