
#######################################################
#                                                     #
#                        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 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       3.20     3.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.44     3.37
  LCS_AVERAGE:     67.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.80     3.49
  LCS_AVERAGE:     64.81

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     1_B     E     1_B    100  102  126     15   91  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V     2_B     V     2_B    100  102  126     23  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Q     3_B     Q     3_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L     4_B     L     4_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Q     5_B     Q     5_B    100  102  126     45  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     E     6_B     E     6_B    100  102  126     31  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S     7_B     S     7_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G     8_B     G     8_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G     9_B     G     9_B    100  102  126     27  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    10_B     G    10_B    100  102  126     32  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    11_B     L    11_B    100  102  126     58  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V    12_B     V    12_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Q    13_B     Q    13_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     P    14_B     P    14_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    15_B     G    15_B    100  102  126     43  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    16_B     G    16_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    17_B     S    17_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    18_B     L    18_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    19_B     R    19_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    20_B     L    20_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    21_B     S    21_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     C    22_B     C    22_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    23_B     A    23_B    100  102  126     44  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    24_B     A    24_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    25_B     S    25_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    26_B     G    26_B    100  102  126     23   99  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     F    27_B     F    27_B    100  102  126      4  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    28_B     R    28_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     F    29_B     F    29_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    30_B     S    30_B    100  102  126     16  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    31_B     S    31_B    100  102  126     34  100  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    32_B     Y    32_B    100  102  126     34  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     W    33_B     W    33_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     M    34_B     M    34_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    35_B     Y    35_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     W    36_B     W    36_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V    37_B     V    37_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    38_B     R    38_B    100  102  126     53  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Q    39_B     Q    39_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    40_B     A    40_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     P    41_B     P    41_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    42_B     G    42_B    100  102  126     22  100  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     K    43_B     K    43_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    44_B     G    44_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    45_B     L    45_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     E    46_B     E    46_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     W    47_B     W    47_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V    48_B     V    48_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    49_B     S    49_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    50_B     A    50_B    100  102  126     56  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     I    51_B     I    51_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     N    52_B     N    52_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    53_B     S    53_B    100  102  126      9  100  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    54_B     S    54_B    100  102  126     55  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    55_B     G    55_B    100  102  126     44  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    56_B     G    56_B    100  102  126      5   29   99  112  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    57_B     Y    57_B    100  102  126     52  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T    58_B     T    58_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    59_B     R    59_B    100  102  126     58  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    60_B     Y    60_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    61_B     A    61_B    100  102  126     55  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     D    62_B     D    62_B    100  102  126     55  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    63_B     S    63_B    100  102  126     31  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V    64_B     V    64_B    100  102  126     49  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     K    65_B     K    65_B    100  102  126     55  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G    66_B     G    66_B    100  102  126      9   42  108  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    67_B     R    67_B    100  102  126     34  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     F    68_B     F    68_B    100  102  126     48  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T    69_B     T    69_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     I    70_B     I    70_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    71_B     S    71_B    100  102  126     58  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    72_B     R    72_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     D    73_B     D    73_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     N    74_B     N    74_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    75_B     A    75_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     K    76_B     K    76_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     N    77_B     N    77_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T    78_B     T    78_B    100  102  126     57  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    79_B     L    79_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    80_B     Y    80_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    81_B     L    81_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Q    82_B     Q    82_B    100  102  126     46  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     M    83_B     M    83_B    100  102  126     42  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     N    84_B     N    84_B    100  102  126     55  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S    85_B     S    85_B    100  102  126     33   99  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L    86_B     L    86_B    100  102  126     46  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R    87_B     R    87_B    100  102  126     46  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    88_B     A    88_B    100  102  126     54  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     E    89_B     E    89_B    100  102  126     50  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     D    90_B     D    90_B    100  102  126     55  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T    91_B     T    91_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    92_B     A    92_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V    93_B     V    93_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    94_B     Y    94_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y    95_B     Y    95_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     C    96_B     C    96_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     A    97_B     A    97_B    100  102  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T    98_B     T    98_B    100  102  126     54  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     D    99_B     D    99_B    100  102  126      3   79  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S   100_B     S   100_B    100  102  126      3    4   21   35  109  114  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G   101_B     G   101_B      3  102  126      3    3   15   29   78  103  113  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     D   102_B     D   102_B      3  102  126      3    3    6    8   16   44   66   88  103  111  117  120  121  122  122  123  124  125  126  126 
LCS_GDT     G   103_B     G   103_B      6    8  126      3    5    6    8    9   10   17   21   26   32   35   81   87   90  116  122  124  125  126  126 
LCS_GDT     K   104_B     K   104_B      6    8  126      3    5    6    8   10   13   17   21   26   32   35   46   61   85  109  122  123  125  126  126 
LCS_GDT     R   105_B     R   105_B      6    8  126      3    5    6    8    9   13   17   21   26   40   62   88  101  113  120  122  124  125  126  126 
LCS_GDT     Y   106_B     Y   106_B      6    8  126      3    5    6    8   10   13   17   32   47   79   96  111  118  121  122  123  124  125  126  126 
LCS_GDT     W   107_B     W   107_B      6    8  126      3    5    6    8   10   15   22   68   87  102  113  119  121  122  122  123  124  125  126  126 
LCS_GDT     S   108_B     S   108_B      6    7  126      4    5    6    7   10   45   71   97  111  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G   109_B     G   109_B      4   16  126      4    5   10   32   74   97  114  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     E   110_B     E   110_B      7   17  126      4    6   10   20   41   80  101  115  117  118  119  120  120  122  122  123  123  125  126  126 
LCS_GDT     Y   111_B     Y   111_B     12   17  126      4    8   30   69  107  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126      4   68  107  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126      8  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126      9   60  108  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     53  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     35  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     59  101  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     10   99  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126      4   69  109  113  114  115  115  116  118  118  119  120  121  122  122  123  124  125  126  126 
LCS_AVERAGE  LCS_A:  77.52  (  64.81   67.75  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     59    101    109    113    114    115    115    116    118    118    119    120    121    122    122    123    124    125    126    126 
GDT PERCENT_AT  46.83  80.16  86.51  89.68  90.48  91.27  91.27  92.06  93.65  93.65  94.44  95.24  96.03  96.83  96.83  97.62  98.41  99.21 100.00 100.00
GDT RMS_LOCAL    0.36   0.55   0.64   0.73   0.75   0.83   0.83   0.90   1.20   1.20   1.32   1.51   1.95   2.02   2.02   2.31   2.87   2.92   3.20   3.20
GDT RMS_ALL_AT   3.52   3.52   3.52   3.50   3.51   3.51   3.51   3.50   3.43   3.43   3.44   3.40   3.30   3.30   3.30   3.26   3.20   3.20   3.20   3.20

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  F   112_B      F   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.845     0    0.460   0.948     8.379   73.333   42.487
LGA    V     2_B      V     2_B     1.019     0    0.056   1.239     3.434   85.952   78.299
LGA    Q     3_B      Q     3_B     0.247     0    0.055   1.009     4.620  100.000   75.132
LGA    L     4_B      L     4_B     0.321     0    0.014   0.449     1.343   97.619   94.167
LGA    Q     5_B      Q     5_B     0.638     0    0.080   0.974     2.949   90.476   79.153
LGA    E     6_B      E     6_B     0.778     0    0.056   0.984     3.369   90.476   84.974
LGA    S     7_B      S     7_B     0.449     0    0.082   0.168     0.586   97.619   98.413
LGA    G     8_B      G     8_B     0.577     0    0.079   0.079     0.766   90.476   90.476
LGA    G     9_B      G     9_B     0.784     0    0.030   0.030     0.793   90.476   90.476
LGA    G    10_B      G    10_B     0.707     0    0.031   0.031     0.823   90.476   90.476
LGA    L    11_B      L    11_B     0.568     0    0.116   0.429     1.335   90.476   89.345
LGA    V    12_B      V    12_B     0.293     0    0.044   1.015     2.383  100.000   91.088
LGA    Q    13_B      Q    13_B     0.474     0    0.030   1.092     3.642   95.238   81.534
LGA    P    14_B      P    14_B     0.437     0    0.051   0.075     0.707   95.238   94.558
LGA    G    15_B      G    15_B     0.809     0    0.163   0.163     0.809   95.238   95.238
LGA    G    16_B      G    16_B     0.519     0    0.050   0.050     0.681   92.857   92.857
LGA    S    17_B      S    17_B     0.451     0    0.035   0.093     0.786  100.000   96.825
LGA    L    18_B      L    18_B     0.562     0    0.071   1.167     3.593   92.857   84.643
LGA    R    19_B      R    19_B     0.515     0    0.102   1.040     4.180   90.595   81.775
LGA    L    20_B      L    20_B     0.325     0    0.038   1.120     2.700  100.000   89.048
LGA    S    21_B      S    21_B     0.462     0    0.057   0.199     0.780  100.000   98.413
LGA    C    22_B      C    22_B     0.384     0    0.022   0.152     0.549   97.619   96.825
LGA    A    23_B      A    23_B     0.793     0    0.115   0.142     1.007   90.476   88.667
LGA    A    24_B      A    24_B     0.206     0    0.050   0.078     0.774   97.619   96.190
LGA    S    25_B      S    25_B     0.323     0    0.030   0.056     0.736   95.238   95.238
LGA    G    26_B      G    26_B     1.110     0    0.561   0.561     3.566   72.024   72.024
LGA    F    27_B      F    27_B     0.730     0    0.103   1.321     9.071   92.857   51.385
LGA    R    28_B      R    28_B     0.196     0    0.025   0.954     3.960  100.000   85.758
LGA    F    29_B      F    29_B     0.271     0    0.011   0.074     0.434  100.000  100.000
LGA    S    30_B      S    30_B     0.854     0    0.065   0.116     1.193   88.214   85.952
LGA    S    31_B      S    31_B     1.131     0    0.042   0.090     1.341   83.690   82.937
LGA    Y    32_B      Y    32_B     0.968     0    0.041   0.237     1.016   88.214   88.968
LGA    W    33_B      W    33_B     0.543     0    0.039   0.054     0.835   92.857   92.517
LGA    M    34_B      M    34_B     0.367     0    0.028   0.876     3.551  100.000   92.917
LGA    Y    35_B      Y    35_B     0.281     0    0.034   0.275     1.236   97.619   92.937
LGA    W    36_B      W    36_B     0.252     0    0.052   0.212     0.732  100.000   97.279
LGA    V    37_B      V    37_B     0.437     0    0.027   0.085     0.646   92.857   94.558
LGA    R    38_B      R    38_B     0.711     0    0.097   0.570     1.382   90.476   90.563
LGA    Q    39_B      Q    39_B     0.403     0    0.104   0.146     0.451  100.000  100.000
LGA    A    40_B      A    40_B     0.389     0    0.037   0.043     0.736   97.619   96.190
LGA    P    41_B      P    41_B     0.578     0    0.083   0.089     0.682   92.857   93.197
LGA    G    42_B      G    42_B     1.256     0    0.011   0.011     1.400   83.690   83.690
LGA    K    43_B      K    43_B     0.544     0    0.049   0.679     2.784   95.238   84.974
LGA    G    44_B      G    44_B     0.213     0    0.096   0.096     0.368  100.000  100.000
LGA    L    45_B      L    45_B     0.106     0    0.054   0.451     1.461   97.619   95.298
LGA    E    46_B      E    46_B     0.158     0    0.021   0.373     0.962  100.000   96.825
LGA    W    47_B      W    47_B     0.313     0    0.033   0.215     0.823  100.000   95.918
LGA    V    48_B      V    48_B     0.323     0    0.041   0.059     0.433  100.000  100.000
LGA    S    49_B      S    49_B     0.427     0    0.025   0.239     1.133  100.000   96.905
LGA    A    50_B      A    50_B     0.649     0    0.032   0.036     0.864   97.619   96.190
LGA    I    51_B      I    51_B     0.402     0    0.035   0.109     0.664   95.238   97.619
LGA    N    52_B      N    52_B     0.459     0    0.065   0.315     1.869   97.619   91.845
LGA    S    53_B      S    53_B     1.062     0    0.117   0.557     1.953   88.214   83.095
LGA    S    54_B      S    54_B     0.680     0    0.129   0.181     0.718   90.476   90.476
LGA    G    55_B      G    55_B     0.983     0    0.756   0.756     2.656   79.881   79.881
LGA    G    56_B      G    56_B     2.241     0    0.177   0.177     2.265   73.095   73.095
LGA    Y    57_B      Y    57_B     0.717     0    0.167   1.397     9.444   90.476   53.492
LGA    T    58_B      T    58_B     0.362     0    0.038   0.102     0.462  100.000  100.000
LGA    R    59_B      R    59_B     0.484     0    0.036   1.483     7.414  100.000   67.749
LGA    Y    60_B      Y    60_B     0.450     0    0.035   0.293     1.050   97.619   95.317
LGA    A    61_B      A    61_B     0.654     0    0.059   0.085     0.800   92.857   92.381
LGA    D    62_B      D    62_B     0.895     0    0.100   0.924     2.880   88.214   78.631
LGA    S    63_B      S    63_B     1.059     0    0.178   0.173     1.510   85.952   83.016
LGA    V    64_B      V    64_B     0.795     0    0.051   0.100     1.406   92.857   90.544
LGA    K    65_B      K    65_B     0.584     0    0.644   0.905     6.054   82.143   68.042
LGA    G    66_B      G    66_B     1.947     0    0.076   0.076     2.138   70.833   70.833
LGA    R    67_B      R    67_B     1.016     0    0.114   1.534     6.838   85.952   64.026
LGA    F    68_B      F    68_B     0.674     0    0.024   0.586     2.084   90.476   85.801
LGA    T    69_B      T    69_B     0.462     0    0.116   0.183     0.997   95.238   95.918
LGA    I    70_B      I    70_B     0.314     0    0.029   0.079     0.459  100.000  100.000
LGA    S    71_B      S    71_B     0.636     0    0.106   0.602     2.008   90.476   86.190
LGA    R    72_B      R    72_B     0.408     0    0.080   1.058     2.306  100.000   88.485
LGA    D    73_B      D    73_B     0.148     0    0.086   0.310     0.781  100.000   97.619
LGA    N    74_B      N    74_B     0.389     0    0.025   0.837     2.251   97.619   88.631
LGA    A    75_B      A    75_B     0.339     0    0.053   0.057     0.532   97.619   98.095
LGA    K    76_B      K    76_B     0.377     0    0.058   0.933     2.921   97.619   89.206
LGA    N    77_B      N    77_B     0.380     0    0.019   0.453     1.658   97.619   93.036
LGA    T    78_B      T    78_B     0.454     0    0.095   1.038     2.383   97.619   88.571
LGA    L    79_B      L    79_B     0.443     0    0.035   0.078     0.616  100.000   96.429
LGA    Y    80_B      Y    80_B     0.245     0    0.096   0.156     1.284   97.619   91.389
LGA    L    81_B      L    81_B     0.288     0    0.026   0.212     0.735  100.000   97.619
LGA    Q    82_B      Q    82_B     0.638     0    0.061   0.247     1.008   90.476   90.529
LGA    M    83_B      M    83_B     0.744     0    0.054   0.688     1.660   90.476   87.143
LGA    N    84_B      N    84_B     0.555     0    0.112   0.389     1.058   88.214   88.214
LGA    S    85_B      S    85_B     1.161     0    0.079   0.097     1.707   81.548   81.508
LGA    L    86_B      L    86_B     0.771     0    0.114   0.175     1.087   88.214   89.345
LGA    R    87_B      R    87_B     0.745     0    0.000   1.151     5.049   90.476   77.662
LGA    A    88_B      A    88_B     0.707     0    0.078   0.079     0.901   90.476   90.476
LGA    E    89_B      E    89_B     0.824     0    0.034   0.577     2.075   90.476   83.651
LGA    D    90_B      D    90_B     0.637     0    0.008   0.070     0.709   90.476   90.476
LGA    T    91_B      T    91_B     0.552     0    0.022   0.049     0.686   92.857   93.197
LGA    A    92_B      A    92_B     0.497     0    0.058   0.093     0.555   97.619   96.190
LGA    V    93_B      V    93_B     0.490     0    0.044   0.173     0.704   95.238   94.558
LGA    Y    94_B      Y    94_B     0.394     0    0.156   0.141     0.981   97.619   99.206
LGA    Y    95_B      Y    95_B     0.421     0    0.063   0.136     0.615   97.619   92.857
LGA    C    96_B      C    96_B     0.446     0    0.041   0.589     1.328  100.000   95.317
LGA    A    97_B      A    97_B     0.402     0    0.029   0.033     0.472  100.000  100.000
LGA    T    98_B      T    98_B     0.653     0    0.107   1.027     2.776   90.476   83.197
LGA    D    99_B      D    99_B     1.602     0    0.578   1.056     5.332   75.000   59.940
LGA    S   100_B      S   100_B     3.934     0    0.735   0.858     8.372   39.167   29.762
LGA    G   101_B      G   101_B     6.676     0    0.258   0.258     9.270   10.238   10.238
LGA    D   102_B      D   102_B    10.739     0    0.235   1.229    15.293    0.714    0.655
LGA    G   103_B      G   103_B    15.991     0    0.610   0.610    17.060    0.000    0.000
LGA    K   104_B      K   104_B    17.451     0    0.679   1.012    23.893    0.000    0.000
LGA    R   105_B      R   105_B    15.923     0    0.438   0.691    17.921    0.000    0.000
LGA    Y   106_B      Y   106_B    13.811     0    0.022   1.083    17.639    0.000    0.000
LGA    W   107_B      W   107_B    11.866     0    0.053   1.546    12.967    0.000    3.707
LGA    S   108_B      S   108_B     8.604     0    0.106   0.162     9.691    7.619    7.063
LGA    G   109_B      G   109_B     5.918     0    0.056   0.056     7.061   20.952   20.952
LGA    E   110_B      E   110_B     5.942     0    0.094   0.716    10.965   25.119   11.746
LGA    Y   111_B      Y   111_B     3.753     0    0.040   1.435     7.079   45.476   40.675
LGA    F   112_B      F   112_B     2.093     0    0.040   0.107     2.788   60.952   63.463
LGA    Y   113_B      Y   113_B     1.094     0    0.148   1.358     6.321   79.286   64.881
LGA    R   114_B      R   114_B     1.858     0    0.039   0.643     5.328   72.976   51.732
LGA    S   115_B      S   115_B     0.602     0    0.059   0.706     3.190   95.238   86.905
LGA    R   116_B      R   116_B     0.389     0    0.117   0.564     1.320  100.000   94.848
LGA    G   117_B      G   117_B     0.457     0    0.047   0.047     0.599   95.238   95.238
LGA    Q   118_B      Q   118_B     0.679     0    0.032   0.872     3.186   90.476   78.307
LGA    G   119_B      G   119_B     0.371     0    0.015   0.015     0.474  100.000  100.000
LGA    T   120_B      T   120_B     0.268     0    0.032   1.063     2.520  100.000   88.639
LGA    L   121_B      L   121_B     0.308     0    0.034   0.232     0.784  100.000   97.619
LGA    V   122_B      V   122_B     0.364     0    0.017   0.140     0.580  100.000   98.639
LGA    T   123_B      T   123_B     0.325     0    0.059   0.518     1.623   97.619   92.109
LGA    V   124_B      V   124_B     0.400     0    0.042   0.077     0.946   95.238   93.197
LGA    S   125_B      S   125_B     1.129     0    0.092   0.506     1.519   83.690   81.508
LGA    S   126_B      S   126_B     1.701     0    0.603   0.676     4.668   62.619   62.063

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     3.197          3.213                  3.760           84.976   80.220

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.90    89.881    85.247    11.562

LGA_LOCAL      RMSD:   0.903  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.501  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.197  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.870270 * X  +   0.136220 * Y  +   0.473364 * Z  + -36.290276
  Y_new =  -0.264897 * X  +   0.680776 * Y  +  -0.682915 * Z  + -17.608358
  Z_new =  -0.415282 * X  +  -0.719713 * Y  +  -0.556375 * Z  + -49.322140 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.846118  0.428253 -2.228888   [DEG: -163.0706   24.5371 -127.7059 ]
ZXZ:  0.606115  2.160814 -2.618249   [DEG:   34.7278  123.8055 -150.0146 ]
 
# END of job
