
#######################################################
#                                                     #
#                        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       2.53     2.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.68     2.56
  LCS_AVERAGE:     68.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.82     2.68
  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  103  126     34  106  111  114  115  116  116  118  118  119  119  123  124  124  124  124  124  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     49  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     69  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     79  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     69  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     67  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     46  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     69  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     79  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     79  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     70  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     28  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  103  126     28  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     56  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     79  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     68  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  103  126     41  105  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     76  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  103  126      5  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  103  126     69  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  103  126      4  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      6   20  100  112  115  116  116  118  118  119  119  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     10   97  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     49  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     39  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  103  126     14   57  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  103  126     15   72  107  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      5   14   45   87  104  114  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     D   102_B     D   102_B      5  103  126      3    4    7   11   12   15   29   75  109  115  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  103  126      3    4    8   11   12   21   31   57  105  115  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     K   104_B     K   104_B      4   14  126      3    4    5    8   12   21   29   40   71  103  117  121  124  124  124  124  124  126  126  126 
LCS_GDT     R   105_B     R   105_B      4    9  126      3    4    5    6   45   76   97  108  116  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      4    7  126      3    4    5    8   12   23   51   83  106  115  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     W   107_B     W   107_B      4    6  126      3    4    5    6    7   24   45   87  108  117  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   108_B     S   108_B      4    6  126      3    4   26   44   87  111  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   109_B     G   109_B      3    6  126      3    4    5    5  114  116  116  118  118  119  119  123  124  124  124  124  124  126  126  126 
LCS_GDT     E   110_B     E   110_B      3   17  126      3    4    5    5    5    9   15   19  116  118  118  119  120  120  120  122  123  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      3   17  126      3    3    4    4    6   95  105  116  117  118  118  119  120  120  120  122  124  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126     28   98  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     39  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126     72  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     76  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     81  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     29  106  111  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126      5   69  102  114  115  116  116  118  118  119  120  123  124  124  124  124  124  126  126  126 
LCS_AVERAGE  LCS_A:  78.29  (  65.92   68.95  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    106    111    114    115    116    116    118    118    119    120    123    124    124    124    124    124    126    126    126 
GDT PERCENT_AT  64.29  84.13  88.10  90.48  91.27  92.06  92.06  93.65  93.65  94.44  95.24  97.62  98.41  98.41  98.41  98.41  98.41 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.48   0.54   0.63   0.66   0.74   0.74   1.01   1.01   1.29   2.10   2.13   2.35   2.35   2.35   2.35   2.23   2.53   2.53   2.53
GDT RMS_ALL_AT   2.69   2.71   2.71   2.70   2.70   2.71   2.71   2.65   2.65   2.61   2.54   2.53   2.54   2.54   2.54   2.54   2.53   2.53   2.53   2.53

# Checking swapping
#   possible swapping detected:  E    46_B      E    46_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:  Y   106_B      Y   106_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     1.148     0    0.118   1.072     5.343   79.286   65.185
LGA    V     2_B      V     2_B     1.161     0    0.032   1.266     3.343   85.952   77.143
LGA    Q     3_B      Q     3_B     0.837     0    0.099   0.698     2.429   90.595   84.656
LGA    L     4_B      L     4_B     0.210     0    0.086   1.314     3.132   97.619   88.155
LGA    Q     5_B      Q     5_B     0.124     0    0.044   0.325     1.100  100.000   95.820
LGA    E     6_B      E     6_B     0.093     0    0.024   0.150     0.801  100.000   97.884
LGA    S     7_B      S     7_B     0.146     0    0.062   0.145     0.458  100.000  100.000
LGA    G     8_B      G     8_B     0.230     0    0.031   0.031     0.345  100.000  100.000
LGA    G     9_B      G     9_B     0.253     0    0.060   0.060     0.892   97.619   97.619
LGA    G    10_B      G    10_B     0.477     0    0.068   0.068     0.497  100.000  100.000
LGA    L    11_B      L    11_B     0.524     0    0.034   0.305     0.856   90.476   91.667
LGA    V    12_B      V    12_B     0.689     0    0.058   1.210     2.348   90.476   83.129
LGA    Q    13_B      Q    13_B     0.697     0    0.052   1.253     4.784   90.476   79.048
LGA    P    14_B      P    14_B     0.816     0    0.044   0.282     1.032   90.476   89.184
LGA    G    15_B      G    15_B     0.680     0    0.172   0.172     0.680   92.857   92.857
LGA    G    16_B      G    16_B     0.604     0    0.020   0.020     0.629   95.238   95.238
LGA    S    17_B      S    17_B     0.565     0    0.077   0.113     1.040   90.476   88.968
LGA    L    18_B      L    18_B     0.294     0    0.065   0.867     2.703   97.619   88.750
LGA    R    19_B      R    19_B     0.285     0    0.131   0.921     2.508   97.619   87.662
LGA    L    20_B      L    20_B     0.115     0    0.058   1.195     2.810  100.000   89.048
LGA    S    21_B      S    21_B     0.408     0    0.023   0.735     2.122  100.000   92.540
LGA    C    22_B      C    22_B     0.520     0    0.050   0.122     0.689   95.238   93.651
LGA    A    23_B      A    23_B     0.372     0    0.059   0.067     0.423  100.000  100.000
LGA    A    24_B      A    24_B     0.377     0    0.050   0.089     0.551  100.000   98.095
LGA    S    25_B      S    25_B     0.800     0    0.012   0.641     1.942   90.476   87.540
LGA    G    26_B      G    26_B     1.208     0    0.049   0.049     1.692   79.286   79.286
LGA    F    27_B      F    27_B     1.314     0    0.039   0.241     1.314   83.690   82.251
LGA    R    28_B      R    28_B     0.813     0    0.056   1.431     3.493   90.476   73.333
LGA    F    29_B      F    29_B     0.388     0    0.067   0.234     0.965  100.000   96.537
LGA    S    30_B      S    30_B     0.493     0    0.047   0.096     1.119   95.238   92.143
LGA    S    31_B      S    31_B     0.866     0    0.047   0.085     1.202   90.476   87.460
LGA    Y    32_B      Y    32_B     0.744     0    0.025   0.512     2.759   92.857   78.373
LGA    W    33_B      W    33_B     0.627     0    0.043   1.074     6.531   90.476   67.347
LGA    M    34_B      M    34_B     0.629     0    0.043   0.929     3.621   90.476   85.774
LGA    Y    35_B      Y    35_B     0.455     0    0.047   1.472     8.557   92.857   57.460
LGA    W    36_B      W    36_B     0.382     0    0.080   0.113     0.461  100.000  100.000
LGA    V    37_B      V    37_B     0.536     0    0.082   1.390     3.197   95.238   82.653
LGA    R    38_B      R    38_B     0.504     0    0.043   0.950     2.391   92.857   86.623
LGA    Q    39_B      Q    39_B     0.346     0    0.030   1.018     2.745  100.000   92.222
LGA    A    40_B      A    40_B     0.334     0    0.050   0.050     0.482  100.000  100.000
LGA    P    41_B      P    41_B     0.749     0    0.103   0.149     1.309   92.857   89.252
LGA    G    42_B      G    42_B     0.970     0    0.111   0.111     1.512   86.071   86.071
LGA    K    43_B      K    43_B     0.454     0    0.050   0.664     2.927  100.000   87.090
LGA    G    44_B      G    44_B     0.241     0    0.094   0.094     0.385  100.000  100.000
LGA    L    45_B      L    45_B     0.337     0    0.043   1.161     2.673  100.000   86.726
LGA    E    46_B      E    46_B     0.468     0    0.053   0.771     2.129   92.976   81.958
LGA    W    47_B      W    47_B     0.394     0    0.039   0.139     0.518   97.619   99.320
LGA    V    48_B      V    48_B     0.213     0    0.041   0.089     0.573  100.000   98.639
LGA    S    49_B      S    49_B     0.134     0    0.042   0.166     0.396  100.000  100.000
LGA    A    50_B      A    50_B     0.377     0    0.031   0.037     0.513   97.619   96.190
LGA    I    51_B      I    51_B     0.386     0    0.028   0.094     0.515   97.619   98.810
LGA    N    52_B      N    52_B     0.665     0    0.063   0.189     1.067   95.238   91.726
LGA    S    53_B      S    53_B     0.971     0    0.018   0.267     2.880   92.857   85.000
LGA    S    54_B      S    54_B     0.839     0    0.105   0.599     2.964   83.810   78.968
LGA    G    55_B      G    55_B     1.207     0    0.084   0.084     1.524   81.548   81.548
LGA    G    56_B      G    56_B     2.499     0    0.209   0.209     2.499   66.786   66.786
LGA    Y    57_B      Y    57_B     1.642     0    0.095   0.360     2.392   79.405   75.119
LGA    T    58_B      T    58_B     0.938     0    0.030   0.083     1.261   88.214   87.891
LGA    R    59_B      R    59_B     0.411     0    0.028   1.225     6.821   95.238   61.905
LGA    Y    60_B      Y    60_B     0.081     0    0.063   0.237     0.858  100.000   96.825
LGA    A    61_B      A    61_B     0.218     0    0.093   0.106     0.390  100.000  100.000
LGA    D    62_B      D    62_B     0.198     0    0.052   0.276     1.031   97.619   95.298
LGA    S    63_B      S    63_B     0.515     0    0.084   0.562     1.804   95.238   90.714
LGA    V    64_B      V    64_B     0.358     0    0.083   0.089     0.806   97.619   98.639
LGA    K    65_B      K    65_B     0.296     0    0.020   0.326     1.054  100.000   97.937
LGA    G    66_B      G    66_B     0.283     0    0.131   0.131     0.882   97.619   97.619
LGA    R    67_B      R    67_B     0.265     0    0.054   1.027     3.299  100.000   89.610
LGA    F    68_B      F    68_B     0.429     0    0.081   0.407     1.258   97.619   94.026
LGA    T    69_B      T    69_B     0.395     0    0.162   0.162     1.099   92.976   95.986
LGA    I    70_B      I    70_B     0.234     0    0.029   0.631     2.013  100.000   94.405
LGA    S    71_B      S    71_B     0.324     0    0.029   0.666     1.639  100.000   93.889
LGA    R    72_B      R    72_B     0.262     0    0.025   1.023     2.358  100.000   89.351
LGA    D    73_B      D    73_B     0.256     0    0.029   0.250     0.627  100.000   97.619
LGA    N    74_B      N    74_B     0.286     0    0.068   0.987     2.339   97.619   91.012
LGA    A    75_B      A    75_B     0.494     0    0.021   0.031     0.704   97.619   96.190
LGA    K    76_B      K    76_B     0.454     0    0.120   0.565     2.179  100.000   89.841
LGA    N    77_B      N    77_B     0.149     0    0.055   0.351     1.520  100.000   96.607
LGA    T    78_B      T    78_B     0.497     0    0.057   0.098     1.052  100.000   94.626
LGA    L    79_B      L    79_B     0.220     0    0.052   0.065     0.340  100.000  100.000
LGA    Y    80_B      Y    80_B     0.397     0    0.058   0.246     1.020  100.000   94.484
LGA    L    81_B      L    81_B     0.359     0    0.024   0.229     0.945  100.000   97.619
LGA    Q    82_B      Q    82_B     0.375     0    0.043   0.180     0.485  100.000  100.000
LGA    M    83_B      M    83_B     0.474     0    0.029   0.622     1.698  100.000   94.226
LGA    N    84_B      N    84_B     0.335     0    0.046   0.276     1.126   97.619   96.488
LGA    S    85_B      S    85_B     0.499     0    0.071   0.703     2.419   95.238   89.365
LGA    L    86_B      L    86_B     0.435     0    0.046   0.267     0.838   95.238   95.238
LGA    R    87_B      R    87_B     0.473     0    0.033   0.266     0.835  100.000   93.939
LGA    A    88_B      A    88_B     0.395     0    0.069   0.084     0.629  100.000   98.095
LGA    E    89_B      E    89_B     0.383     0    0.082   0.771     2.385   97.619   84.921
LGA    D    90_B      D    90_B     0.376     0    0.079   0.230     0.997  100.000   95.238
LGA    T    91_B      T    91_B     0.281     0    0.032   0.082     0.415  100.000  100.000
LGA    A    92_B      A    92_B     0.325     0    0.031   0.055     0.325  100.000  100.000
LGA    V    93_B      V    93_B     0.368     0    0.077   0.781     1.872   97.619   90.884
LGA    Y    94_B      Y    94_B     0.338     0    0.126   0.131     0.765   97.619   99.206
LGA    Y    95_B      Y    95_B     0.392     0    0.044   0.154     0.633  100.000   93.651
LGA    C    96_B      C    96_B     0.314     0    0.029   0.146     0.840  100.000   98.413
LGA    A    97_B      A    97_B     0.298     0    0.068   0.074     0.366  100.000  100.000
LGA    T    98_B      T    98_B     0.825     0    0.032   0.100     1.238   90.476   89.184
LGA    D    99_B      D    99_B     1.457     0    0.460   0.457     3.793   67.738   72.500
LGA    S   100_B      S   100_B     2.147     0    0.695   0.867     6.025   49.524   55.952
LGA    G   101_B      G   101_B     4.997     0    0.165   0.165     8.800   21.905   21.905
LGA    D   102_B      D   102_B    10.439     0    0.666   1.271    15.626    1.190    0.595
LGA    G   103_B      G   103_B    11.401     0    0.060   0.060    11.920    0.000    0.000
LGA    K   104_B      K   104_B    12.950     0    0.616   1.289    19.047    0.000    0.000
LGA    R   105_B      R   105_B     8.984     0    0.048   1.407    10.994    0.952   17.532
LGA    Y   106_B      Y   106_B    10.803     0    0.052   1.087    15.712    4.167    1.389
LGA    W   107_B      W   107_B     8.639     0    0.633   1.341    12.321    3.810    2.279
LGA    S   108_B      S   108_B     5.431     0    0.060   0.118     6.328   37.619   33.889
LGA    G   109_B      G   109_B     3.495     0    0.663   0.663     6.720   36.190   36.190
LGA    E   110_B      E   110_B     6.840     0    0.054   0.785    14.586   15.714    7.302
LGA    Y   111_B      Y   111_B     6.299     0    0.637   1.362    17.598   25.476    9.087
LGA    F   112_B      F   112_B     1.353     0    0.652   1.344     9.250   71.190   39.177
LGA    Y   113_B      Y   113_B     0.801     0    0.207   1.319    10.869   86.071   48.611
LGA    R   114_B      R   114_B     0.556     0    0.023   0.949     3.493   95.238   87.706
LGA    S   115_B      S   115_B     0.404     0    0.019   0.035     0.989  100.000   96.825
LGA    R   116_B      R   116_B     0.553     0    0.077   1.177     3.485   97.619   84.545
LGA    G   117_B      G   117_B     0.181     0    0.096   0.096     0.335  100.000  100.000
LGA    Q   118_B      Q   118_B     0.460     0    0.020   1.311     6.527   97.619   66.667
LGA    G   119_B      G   119_B     0.363     0    0.040   0.040     0.798   95.238   95.238
LGA    T   120_B      T   120_B     0.322     0    0.020   1.025     2.424  100.000   89.932
LGA    L   121_B      L   121_B     0.136     0    0.042   0.176     0.720  100.000   98.810
LGA    V   122_B      V   122_B     0.230     0    0.028   0.174     0.687  100.000   98.639
LGA    T   123_B      T   123_B     0.151     0    0.081   0.505     1.394   97.619   93.333
LGA    V   124_B      V   124_B     0.360     0    0.011   0.090     0.730   95.238   95.918
LGA    S   125_B      S   125_B     1.074     0    0.051   0.716     1.655   81.548   80.079
LGA    S   126_B      S   126_B     2.073     0    0.584   0.749     5.548   49.048   55.794

# 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):     2.532          2.551                  3.478           87.225   82.376

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    118    1.01    91.667    86.584    10.631

LGA_LOCAL      RMSD:   1.010  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.651  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.532  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.932424 * X  +  -0.051473 * Y  +   0.357681 * Z  + -16.199738
  Y_new =   0.344363 * X  +  -0.426602 * Y  +   0.836316 * Z  + -15.041280
  Z_new =   0.109540 * X  +   0.902974 * Y  +   0.415499 * Z  + -91.103989 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.787811 -0.109760  1.139538   [DEG:  159.7298   -6.2888   65.2907 ]
ZXZ:  2.737449  1.142305  0.120720   [DEG:  156.8443   65.4493    6.9168 ]
 
# END of job
