
#######################################################
#                                                     #
#                        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       2.48     2.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       1.97     2.49
  LCS_AVERAGE:     70.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.78     2.62
  LCS_AVERAGE:     65.92

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    101  104  126     30  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  104  126     38  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  104  126     70  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  104  126     76  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  104  126     76  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  104  126     61  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  104  126     37  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  104  126     76  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  104  126     78  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  104  126     39  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  104  126     26  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  104  126     70  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  104  126     80  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  104  126     78  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  104  126     39  103  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  104  126     22   98  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  104  126     75  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  104  126     78  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  104  126      4  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  104  126      6  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  104  126     58  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  104  126      3   11   65  109  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  104  126     10  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  104  126     77  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  104  126     75  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  104  126     80  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  104  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  104  126     37  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  104  126     22  104  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  104  126      3  101  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  104  126      5   16   55   91  108  114  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     D   102_B     D   102_B      5  104  126      3    6    8    8   13   15   41   55  107  116  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  104  126      3    6   13   21   28   34   41   55  101  115  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     K   104_B     K   104_B      4  104  126      3    4   13   21   28   34   41   55   70  115  119  121  124  124  124  124  125  126  126  126 
LCS_GDT     R   105_B     R   105_B      4    8  126      3    4    5    8   53   82  103  111  115  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      4    8  126      3    4    5   21   28   34   47   87  107  116  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     W   107_B     W   107_B      4    6  126      3    4    5    6    7   23   38   89  106  116  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   108_B     S   108_B      4    6  126      3    4   24   42   85  109  115  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   109_B     G   109_B      3    6  126      3    4    5   27  114  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     E   110_B     E   110_B      3   17  126      3    4    5    5    6   15   20   77  118  118  119  119  120  120  120  123  125  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      3   17  126      3    3    4    5   16   44  115  117  118  118  119  119  120  120  120  123  125  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126      6   98  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     76  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126     76  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     81  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     34  105  113  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126      8   28  109  114  115  116  116  117  118  119  119  123  124  124  124  124  125  126  126  126 
LCS_AVERAGE  LCS_A:  78.69  (  65.92   70.16  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     81    105    113    114    115    116    116    117    118    119    119    123    124    124    124    124    125    126    126    126 
GDT PERCENT_AT  64.29  83.33  89.68  90.48  91.27  92.06  92.06  92.86  93.65  94.44  94.44  97.62  98.41  98.41  98.41  98.41  99.21 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.46   0.56   0.59   0.64   0.72   0.72   0.85   0.99   1.26   1.26   2.11   2.30   2.30   2.30   2.30   2.29   2.48   2.48   2.48
GDT RMS_ALL_AT   2.64   2.64   2.64   2.64   2.65   2.65   2.65   2.63   2.60   2.56   2.56   2.49   2.49   2.49   2.49   2.49   2.49   2.48   2.48   2.48

# Checking swapping
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.275     0    0.398   0.758     7.653   71.905   51.693
LGA    V     2_B      V     2_B     1.089     0    0.018   0.977     2.471   88.214   80.544
LGA    Q     3_B      Q     3_B     0.725     0    0.106   0.803     2.676   95.238   85.873
LGA    L     4_B      L     4_B     0.146     0    0.082   1.299     2.817   97.619   88.095
LGA    Q     5_B      Q     5_B     0.058     0    0.071   0.802     2.306  100.000   87.090
LGA    E     6_B      E     6_B     0.071     0    0.014   0.308     0.982  100.000   96.825
LGA    S     7_B      S     7_B     0.262     0    0.081   0.497     1.730  100.000   95.476
LGA    G     8_B      G     8_B     0.281     0    0.028   0.028     0.419  100.000  100.000
LGA    G     9_B      G     9_B     0.322     0    0.054   0.054     0.960   95.238   95.238
LGA    G    10_B      G    10_B     0.560     0    0.081   0.081     0.560   95.238   95.238
LGA    L    11_B      L    11_B     0.403     0    0.061   0.895     3.532   92.857   80.357
LGA    V    12_B      V    12_B     0.651     0    0.060   1.238     2.485   90.476   83.129
LGA    Q    13_B      Q    13_B     0.722     0    0.060   1.194     5.208   90.476   70.212
LGA    P    14_B      P    14_B     0.872     0    0.054   0.145     1.026   90.476   89.184
LGA    G    15_B      G    15_B     0.708     0    0.163   0.163     0.714   95.238   95.238
LGA    G    16_B      G    16_B     0.604     0    0.022   0.022     0.656   95.238   95.238
LGA    S    17_B      S    17_B     0.542     0    0.087   0.643     1.691   90.476   87.540
LGA    L    18_B      L    18_B     0.299     0    0.045   1.361     2.736  100.000   85.774
LGA    R    19_B      R    19_B     0.235     0    0.133   0.820     2.727   97.619   88.442
LGA    L    20_B      L    20_B     0.118     0    0.064   1.192     2.906  100.000   89.048
LGA    S    21_B      S    21_B     0.356     0    0.023   0.723     2.023  100.000   92.540
LGA    C    22_B      C    22_B     0.493     0    0.052   0.117     0.702  100.000   96.825
LGA    A    23_B      A    23_B     0.388     0    0.055   0.063     0.426  100.000  100.000
LGA    A    24_B      A    24_B     0.315     0    0.050   0.088     0.521   97.619   98.095
LGA    S    25_B      S    25_B     0.532     0    0.019   0.100     0.639   95.238   95.238
LGA    G    26_B      G    26_B     1.025     0    0.069   0.069     1.658   81.548   81.548
LGA    F    27_B      F    27_B     1.162     0    0.048   0.255     1.216   85.952   85.541
LGA    R    28_B      R    28_B     0.706     0    0.085   1.047     5.657   90.476   64.892
LGA    F    29_B      F    29_B     0.353     0    0.060   0.204     0.838  100.000   97.403
LGA    S    30_B      S    30_B     0.402     0    0.046   0.588     1.237   97.619   93.730
LGA    S    31_B      S    31_B     0.704     0    0.126   0.116     1.375   90.476   87.460
LGA    Y    32_B      Y    32_B     0.505     0    0.053   0.187     0.770   95.238   94.444
LGA    W    33_B      W    33_B     0.434     0    0.044   0.722     5.962   97.619   70.306
LGA    M    34_B      M    34_B     0.515     0    0.068   0.928     3.479   95.238   90.179
LGA    Y    35_B      Y    35_B     0.391     0    0.059   1.239     7.754   97.619   60.992
LGA    W    36_B      W    36_B     0.352     0    0.078   0.141     0.708  100.000   97.279
LGA    V    37_B      V    37_B     0.467     0    0.079   0.953     2.890   92.857   85.782
LGA    R    38_B      R    38_B     0.606     0    0.048   1.058     2.603   90.476   83.463
LGA    Q    39_B      Q    39_B     0.293     0    0.021   0.307     0.945  100.000   98.942
LGA    A    40_B      A    40_B     0.375     0    0.042   0.041     0.566   95.238   96.190
LGA    P    41_B      P    41_B     1.224     0    0.116   0.160     1.942   88.214   82.857
LGA    G    42_B      G    42_B     1.347     0    0.059   0.059     1.589   79.286   79.286
LGA    K    43_B      K    43_B     0.712     0    0.031   0.527     2.816   90.476   83.810
LGA    G    44_B      G    44_B     0.496     0    0.065   0.065     0.627   97.619   97.619
LGA    L    45_B      L    45_B     0.398     0    0.046   1.164     2.558  100.000   85.774
LGA    E    46_B      E    46_B     0.406     0    0.029   0.641     2.414   95.238   83.122
LGA    W    47_B      W    47_B     0.412     0    0.038   0.157     0.556   95.238   98.639
LGA    V    48_B      V    48_B     0.349     0    0.035   0.091     0.598  100.000   97.279
LGA    S    49_B      S    49_B     0.208     0    0.049   0.458     1.646  100.000   95.476
LGA    A    50_B      A    50_B     0.243     0    0.035   0.039     0.450  100.000  100.000
LGA    I    51_B      I    51_B     0.250     0    0.026   0.082     0.600  100.000   98.810
LGA    N    52_B      N    52_B     0.554     0    0.058   0.432     1.649   95.238   88.393
LGA    S    53_B      S    53_B     0.971     0    0.033   0.506     1.857   88.214   84.524
LGA    S    54_B      S    54_B     0.944     0    0.081   0.611     2.468   86.190   81.825
LGA    G    55_B      G    55_B     0.921     0    0.716   0.716     2.179   84.048   84.048
LGA    G    56_B      G    56_B     2.843     0    0.209   0.209     2.843   67.143   67.143
LGA    Y    57_B      Y    57_B     1.129     0    0.154   0.293     1.789   86.190   83.016
LGA    T    58_B      T    58_B     0.539     0    0.035   0.082     0.931   95.238   93.197
LGA    R    59_B      R    59_B     0.181     0    0.030   1.313     7.789  100.000   59.957
LGA    Y    60_B      Y    60_B     0.233     0    0.057   0.392     1.014  100.000   95.278
LGA    A    61_B      A    61_B     0.363     0    0.098   0.110     0.487  100.000  100.000
LGA    D    62_B      D    62_B     0.357     0    0.078   0.417     2.212  100.000   89.762
LGA    S    63_B      S    63_B     0.253     0    0.063   0.655     2.129   97.619   92.540
LGA    V    64_B      V    64_B     0.252     0    0.060   0.083     0.453  100.000  100.000
LGA    K    65_B      K    65_B     0.288     0    0.585   1.551     5.070   85.119   74.974
LGA    G    66_B      G    66_B     0.571     0    0.116   0.116     1.073   88.333   88.333
LGA    R    67_B      R    67_B     0.224     0    0.081   0.403     1.184   97.619   90.606
LGA    F    68_B      F    68_B     0.401     0    0.073   0.372     1.078   97.619   94.848
LGA    T    69_B      T    69_B     0.351     0    0.168   0.178     1.103   95.357   95.986
LGA    I    70_B      I    70_B     0.214     0    0.034   0.641     2.180  100.000   94.405
LGA    S    71_B      S    71_B     0.305     0    0.027   0.074     0.435  100.000  100.000
LGA    R    72_B      R    72_B     0.278     0    0.020   0.107     0.420  100.000  100.000
LGA    D    73_B      D    73_B     0.178     0    0.030   0.238     0.666  100.000   98.810
LGA    N    74_B      N    74_B     0.124     0    0.075   0.773     2.088  100.000   93.274
LGA    A    75_B      A    75_B     0.401     0    0.019   0.031     0.584   97.619   96.190
LGA    K    76_B      K    76_B     0.314     0    0.112   0.356     2.271  100.000   87.989
LGA    N    77_B      N    77_B     0.174     0    0.059   0.361     1.341  100.000   96.488
LGA    T    78_B      T    78_B     0.413     0    0.045   1.000     2.380  100.000   89.728
LGA    L    79_B      L    79_B     0.238     0    0.046   0.061     0.402  100.000  100.000
LGA    Y    80_B      Y    80_B     0.284     0    0.059   0.251     0.951  100.000   96.825
LGA    L    81_B      L    81_B     0.236     0    0.019   0.244     0.839  100.000   97.619
LGA    Q    82_B      Q    82_B     0.309     0    0.041   0.133     0.497  100.000  100.000
LGA    M    83_B      M    83_B     0.460     0    0.035   0.607     1.670  100.000   94.226
LGA    N    84_B      N    84_B     0.272     0    0.055   0.553     1.767   97.619   93.095
LGA    S    85_B      S    85_B     0.690     0    0.071   0.703     2.320   88.214   84.683
LGA    L    86_B      L    86_B     0.436     0    0.044   0.258     0.784   95.238   96.429
LGA    R    87_B      R    87_B     0.525     0    0.038   0.292     1.754   97.619   90.649
LGA    A    88_B      A    88_B     0.300     0    0.064   0.077     0.478  100.000  100.000
LGA    E    89_B      E    89_B     0.381     0    0.068   0.777     2.236   97.619   89.841
LGA    D    90_B      D    90_B     0.349     0    0.077   0.138     0.530  100.000   97.619
LGA    T    91_B      T    91_B     0.231     0    0.044   0.913     2.148  100.000   89.932
LGA    A    92_B      A    92_B     0.322     0    0.037   0.051     0.322  100.000  100.000
LGA    V    93_B      V    93_B     0.362     0    0.069   0.810     2.088   97.619   89.728
LGA    Y    94_B      Y    94_B     0.371     0    0.128   0.130     0.769   97.619   99.206
LGA    Y    95_B      Y    95_B     0.519     0    0.051   0.223     0.747   97.619   94.444
LGA    C    96_B      C    96_B     0.362     0    0.026   0.594     1.229  100.000   95.317
LGA    A    97_B      A    97_B     0.202     0    0.059   0.076     0.330  100.000  100.000
LGA    T    98_B      T    98_B     0.825     0    0.020   0.089     1.169   90.476   89.184
LGA    D    99_B      D    99_B     1.084     0    0.528   0.545     2.862   75.357   78.393
LGA    S   100_B      S   100_B     1.264     0    0.684   0.855     4.906   64.286   56.429
LGA    G   101_B      G   101_B     4.823     0    0.123   0.123     8.712   23.571   23.571
LGA    D   102_B      D   102_B    10.416     0    0.671   1.282    15.614    1.190    0.595
LGA    G   103_B      G   103_B    11.434     0    0.039   0.039    11.920    0.000    0.000
LGA    K   104_B      K   104_B    12.622     0    0.622   0.884    13.563    0.000    0.000
LGA    R   105_B      R   105_B     8.921     0    0.063   1.123    11.117    0.952    5.887
LGA    Y   106_B      Y   106_B    10.829     0    0.049   1.206    15.713    4.167    1.389
LGA    W   107_B      W   107_B     8.868     0    0.625   1.439    13.286    3.810    1.088
LGA    S   108_B      S   108_B     5.614     0    0.094   0.548     6.553   33.810   30.635
LGA    G   109_B      G   109_B     3.531     0    0.651   0.651     6.585   34.286   34.286
LGA    E   110_B      E   110_B     6.494     0    0.074   0.866    13.773   18.095    8.571
LGA    Y   111_B      Y   111_B     6.095     0    0.632   1.395    17.374   25.476    9.087
LGA    F   112_B      F   112_B     1.560     0    0.553   1.480     7.240   72.976   48.571
LGA    Y   113_B      Y   113_B     0.539     0    0.219   1.282    10.430   86.071   51.786
LGA    R   114_B      R   114_B     0.542     0    0.029   0.894     4.621   95.238   67.965
LGA    S   115_B      S   115_B     0.338     0    0.021   0.022     0.870  100.000   96.825
LGA    R   116_B      R   116_B     0.547     0    0.070   1.357     7.701   97.619   60.563
LGA    G   117_B      G   117_B     0.236     0    0.101   0.101     0.308  100.000  100.000
LGA    Q   118_B      Q   118_B     0.364     0    0.021   0.733     4.464  100.000   76.085
LGA    G   119_B      G   119_B     0.392     0    0.048   0.048     0.877   95.238   95.238
LGA    T   120_B      T   120_B     0.447     0    0.017   0.114     0.746  100.000   97.279
LGA    L   121_B      L   121_B     0.184     0    0.042   0.994     4.014  100.000   86.429
LGA    V   122_B      V   122_B     0.122     0    0.039   0.177     0.554  100.000   98.639
LGA    T   123_B      T   123_B     0.055     0    0.083   0.501     1.331   97.619   93.333
LGA    V   124_B      V   124_B     0.314     0    0.009   0.091     0.750   95.238   95.918
LGA    S   125_B      S   125_B     1.004     0    0.048   0.714     1.667   83.690   83.016
LGA    S   126_B      S   126_B     1.947     0    0.322   0.526     2.989   70.952   67.619

# 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):     2.485          2.492                  3.503           87.591   81.770

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.85    91.270    86.881    12.366

LGA_LOCAL      RMSD:   0.846  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.626  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 =  -0.936833 * X  +  -0.044071 * Y  +   0.346988 * Z  + -16.205517
  Y_new =   0.334292 * X  +  -0.404708 * Y  +   0.851152 * Z  + -15.420916
  Z_new =   0.102918 * X  +   0.913383 * Y  +   0.393877 * Z  + -91.356392 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.798845 -0.103101  1.163662   [DEG:  160.3620   -5.9072   66.6729 ]
ZXZ:  2.754493  1.165951  0.112205   [DEG:  157.8208   66.8041    6.4289 ]
 
# END of job
