
#######################################################
#                                                     #
#                        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 (  964),  selected  126 , name one
# Molecule2: number of CA atoms  128 (  979),  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       2_B - 127_B       2.22     2.22
  LCS_AVERAGE:     98.44

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       2_B - 105_B       1.85     2.24
  LCS_AVERAGE:     69.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       2_B - 100_B       1.00     2.35
  LCS_AVERAGE:     64.03

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     V     2_B     V     2_B     99  104  126     34  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q     3_B     Q     3_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L     4_B     L     4_B     99  104  126     81  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V     5_B     V     5_B     99  104  126     82  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     E     6_B     E     6_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S     7_B     S     7_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G     8_B     G     8_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G     9_B     G     9_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    10_B     G    10_B     99  104  126     77  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    11_B     S    11_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V    12_B     V    12_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q    13_B     Q    13_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    14_B     A    14_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    15_B     G    15_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    16_B     G    16_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    17_B     S    17_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L    18_B     L    18_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     R    19_B     R    19_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L    20_B     L    20_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    21_B     S    21_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     C    22_B     C    22_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     99  104  126     82  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    24_B     A    24_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    25_B     S    25_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    26_B     G    26_B     99  104  126     42  100  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    27_B     Y    27_B     99  104  126      3    3    4   31   99  116  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T    28_B     T    28_B     99  104  126      3    5   21  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    29_B     Y    29_B     99  104  126      3    5   21   52  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    30_B     S    30_B     99  104  126      3    8   20  105  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     M    31_B     M    31_B     99  104  126      3    4    4    5    5   20  116  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    32_B     Y    32_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     C    33_B     C    33_B     99  104  126     71  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     M    34_B     M    34_B     99  104  126     66  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    35_B     G    35_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     W    36_B     W    36_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     F    37_B     F    37_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     R    38_B     R    38_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q    39_B     Q    39_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     99  104  126     69  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     P    41_B     P    41_B     99  104  126      9  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    42_B     G    42_B     99  104  126     82  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     K    43_B     K    43_B     99  104  126     79  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     E    44_B     E    44_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     R    45_B     R    45_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     E    46_B     E    46_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    47_B     G    47_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V    48_B     V    48_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    49_B     A    49_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    50_B     G    50_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     I    51_B     I    51_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     C    52_B     C    52_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    53_B     A    53_B     99  104  126      3   52  103  111  113  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     N    54_B     N    54_B     99  104  126      8   29   85  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    55_B     G    55_B     99  104  126      3  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     K    56_B     K    56_B     99  104  126      3    3  107  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    57_B     A    57_B     99  104  126      0   88  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     I    58_B     I    58_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     H    59_B     H    59_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    60_B     Y    60_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V    61_B     V    61_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     D    62_B     D    62_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    63_B     S    63_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V    64_B     V    64_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     K    65_B     K    65_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G    66_B     G    66_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     R    67_B     R    67_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     F    68_B     F    68_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T    69_B     T    69_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     I    70_B     I    70_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    71_B     S    71_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q    72_B     Q    72_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     D    73_B     D    73_B     99  104  126     74  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     N    74_B     N    74_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    75_B     A    75_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     K    76_B     K    76_B     99  104  126     81  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     N    77_B     N    77_B     99  104  126     76  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T    78_B     T    78_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V    79_B     V    79_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    80_B     Y    80_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L    81_B     L    81_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q    82_B     Q    82_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     M    83_B     M    83_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     N    84_B     N    84_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S    85_B     S    85_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L    86_B     L    86_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     K    87_B     K    87_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     P    88_B     P    88_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     E    89_B     E    89_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     D    90_B     D    90_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T    91_B     T    91_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    92_B     A    92_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     M    93_B     M    93_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    94_B     Y    94_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y    95_B     Y    95_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     C    96_B     C    96_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    97_B     A    97_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     A    98_B     A    98_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     D    99_B     D    99_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S   100_B     S   100_B     99  104  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     R   101_B     R   101_B     72  104  126      3   38  100  109  113  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G   102_B     G   102_B     71  104  126      3    3    4    9   35  109  115  118  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G   103_B     G   103_B      4  104  126      3    4    4    6   12   27   64   82  113  119  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     I   104_B     I   104_B      4  104  126      3    4    4    5    7   26   33   64   94  115  117  121  123  124  126  126  126  126  126  126 
LCS_GDT     W   105_B     W   105_B      4  104  126      3    4    4    4   12   28   55   74  109  114  117  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      4    6  126      3    4    4    6   11   17   31   43   71   87  109  115  120  124  126  126  126  126  126  126 
LCS_GDT     E   107_B     E   107_B      3    6  126      3    3    3    6   11   19   31   58   74  108  113  118  120  124  126  126  126  126  126  126 
LCS_GDT     Q   108_B     Q   108_B      3   20  126      0    3    3    6   10   19   50  111  115  119  120  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q   109_B     Q   109_B     19   20  126     19  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L   110_B     L   110_B     19   20  126     42  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S   111_B     S   111_B     19   20  126     82  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T   112_B     T   112_B     19   20  126      5  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     L   113_B     L   113_B     19   20  126      5   34  107  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     19   20  126     13   58  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y   115_B     Y   115_B     19   20  126     74  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     N   116_B     N   116_B     19   20  126     68  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Y   117_B     Y   117_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     W   118_B     W   118_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G   119_B     G   119_B     19   20  126     68  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q   120_B     Q   120_B     19   20  126     26  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     G   121_B     G   121_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T   122_B     T   122_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     Q   123_B     Q   123_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V   124_B     V   124_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     T   125_B     T   125_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     19   20  126     83  105  108  113  115  117  118  119  119  120  121  121  123  124  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  77.36  (  64.03   69.62   98.44 )

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     83    105    108    113    115    117    118    119    119    120    121    121    123    124    126    126    126    126    126    126 
GDT PERCENT_AT  64.84  82.03  84.38  88.28  89.84  91.41  92.19  92.97  92.97  93.75  94.53  94.53  96.09  96.88  98.44  98.44  98.44  98.44  98.44  98.44
GDT RMS_LOCAL    0.28   0.44   0.49   0.70   0.80   0.88   0.93   1.03   1.03   1.15   1.36   1.36   1.79   1.85   2.22   2.22   2.22   2.22   2.22   2.22
GDT RMS_ALL_AT   2.29   2.28   2.28   2.31   2.33   2.31   2.31   2.32   2.32   2.31   2.29   2.29   2.24   2.24   2.22   2.22   2.22   2.22   2.22   2.22

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_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:  E   107_B      E   107_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     2_B      V     2_B     0.927     0    0.046   0.098     1.588   92.976   86.803
LGA    Q     3_B      Q     3_B     0.271     0    0.102   1.026     3.853  100.000   84.550
LGA    L     4_B      L     4_B     0.444     0    0.072   1.079     3.083  100.000   86.964
LGA    V     5_B      V     5_B     0.346     0    0.111   0.156     0.654  100.000   98.639
LGA    E     6_B      E     6_B     0.429     0    0.031   0.212     0.584   97.619   97.884
LGA    S     7_B      S     7_B     0.520     0    0.062   0.067     0.528   95.238   96.825
LGA    G     8_B      G     8_B     0.309     0    0.023   0.023     0.389  100.000  100.000
LGA    G     9_B      G     9_B     0.322     0    0.109   0.109     0.454  100.000  100.000
LGA    G    10_B      G    10_B     0.630     0    0.072   0.072     0.656   95.238   95.238
LGA    S    11_B      S    11_B     0.444     0    0.203   0.521     1.836   92.976   89.206
LGA    V    12_B      V    12_B     0.135     0    0.056   0.144     0.649   97.619   97.279
LGA    Q    13_B      Q    13_B     0.108     0    0.082   1.243     4.099  100.000   86.085
LGA    A    14_B      A    14_B     0.332     0    0.034   0.047     0.439  100.000  100.000
LGA    G    15_B      G    15_B     0.261     0    0.066   0.066     0.612   97.619   97.619
LGA    G    16_B      G    16_B     0.148     0    0.042   0.042     0.328  100.000  100.000
LGA    S    17_B      S    17_B     0.333     0    0.074   0.114     0.571  100.000   98.413
LGA    L    18_B      L    18_B     0.195     0    0.040   1.031     2.660  100.000   89.286
LGA    R    19_B      R    19_B     0.305     0    0.082   1.220     4.110  100.000   82.641
LGA    L    20_B      L    20_B     0.314     0    0.051   0.097     0.637  100.000   96.429
LGA    S    21_B      S    21_B     0.323     0    0.040   0.611     2.308  100.000   94.127
LGA    C    22_B      C    22_B     0.304     0    0.062   0.096     0.847  100.000   98.413
LGA    A    23_B      A    23_B     0.270     0    0.066   0.074     0.443  100.000  100.000
LGA    A    24_B      A    24_B     0.413     0    0.051   0.064     0.816   95.238   94.286
LGA    S    25_B      S    25_B     0.536     0    0.175   0.712     1.679   88.452   87.619
LGA    G    26_B      G    26_B     1.246     0    0.087   0.087     2.910   75.833   75.833
LGA    Y    27_B      Y    27_B     3.438     0    0.620   1.083     5.792   44.881   45.159
LGA    T    28_B      T    28_B     2.830     0    0.147   0.250     3.668   53.810   53.197
LGA    Y    29_B      Y    29_B     3.094     0    0.225   1.143     4.271   53.571   57.937
LGA    S    30_B      S    30_B     2.782     0    0.569   0.775     4.896   52.262   48.413
LGA    M    31_B      M    31_B     4.989     0    0.023   0.797    13.694   37.500   19.702
LGA    Y    32_B      Y    32_B     0.528     0    0.540   1.376    10.815   88.452   40.278
LGA    C    33_B      C    33_B     0.630     0    0.052   0.630     1.551   88.452   84.683
LGA    M    34_B      M    34_B     0.768     0    0.057   0.128     0.885   90.476   90.476
LGA    G    35_B      G    35_B     0.326     0    0.037   0.037     0.491  100.000  100.000
LGA    W    36_B      W    36_B     0.173     0    0.061   0.075     0.533  100.000   99.320
LGA    F    37_B      F    37_B     0.190     0    0.031   0.167     0.890  100.000   97.403
LGA    R    38_B      R    38_B     0.465     0    0.032   1.022     2.941  100.000   87.706
LGA    Q    39_B      Q    39_B     0.318     0    0.043   0.300     1.221   95.238   95.820
LGA    A    40_B      A    40_B     1.016     0    0.038   0.059     1.178   88.214   86.857
LGA    P    41_B      P    41_B     0.848     0    0.026   0.164     1.007   92.976   91.905
LGA    G    42_B      G    42_B     0.356     0    0.313   0.313     1.117   95.357   95.357
LGA    K    43_B      K    43_B     0.533     0    0.081   0.539     2.096   92.857   88.677
LGA    E    44_B      E    44_B     0.320     0    0.026   0.891     3.058  100.000   86.455
LGA    R    45_B      R    45_B     0.266     0    0.033   0.302     1.038  100.000   92.294
LGA    E    46_B      E    46_B     0.400     0    0.090   0.769     1.986  100.000   91.746
LGA    G    47_B      G    47_B     0.270     0    0.054   0.054     0.359  100.000  100.000
LGA    V    48_B      V    48_B     0.210     0    0.073   1.152     2.725  100.000   90.000
LGA    A    49_B      A    49_B     0.365     0    0.044   0.051     0.584  100.000   98.095
LGA    G    50_B      G    50_B     0.178     0    0.053   0.053     0.178  100.000  100.000
LGA    I    51_B      I    51_B     0.182     0    0.077   0.088     0.588  100.000   98.810
LGA    C    52_B      C    52_B     0.734     0    0.068   0.828     4.387   77.738   70.159
LGA    A    53_B      A    53_B     2.733     0    0.416   0.388     4.436   63.214   58.000
LGA    N    54_B      N    54_B     2.474     0    0.376   1.019     6.564   77.262   50.357
LGA    G    55_B      G    55_B     0.713     0    0.128   0.128     0.924   92.857   92.857
LGA    K    56_B      K    56_B     1.847     0    0.635   0.817     6.710   66.310   53.810
LGA    A    57_B      A    57_B     1.406     0    0.232   0.232     1.634   81.429   79.714
LGA    I    58_B      I    58_B     0.444     0    0.097   1.190     2.860   95.238   83.452
LGA    H    59_B      H    59_B     0.303     0    0.048   0.336     0.764  100.000   96.190
LGA    Y    60_B      Y    60_B     0.446     0    0.030   0.215     1.236   95.238   91.349
LGA    V    61_B      V    61_B     0.512     0    0.042   0.875     2.455   97.619   87.211
LGA    D    62_B      D    62_B     0.306     0    0.034   0.812     3.069  100.000   83.988
LGA    S    63_B      S    63_B     0.312     0    0.152   0.620     1.311   97.619   93.730
LGA    V    64_B      V    64_B     0.287     0    0.128   0.251     0.616  100.000   95.918
LGA    K    65_B      K    65_B     0.512     0    0.029   0.881     2.947   97.619   80.582
LGA    G    66_B      G    66_B     0.400     0    0.110   0.110     0.873   95.238   95.238
LGA    R    67_B      R    67_B     0.227     0    0.022   0.307     0.992  100.000   97.403
LGA    F    68_B      F    68_B     0.310     0    0.015   0.434     1.174  100.000   92.381
LGA    T    69_B      T    69_B     0.318     0    0.048   0.075     0.621  100.000   97.279
LGA    I    70_B      I    70_B     0.257     0    0.028   0.115     0.547   97.619   98.810
LGA    S    71_B      S    71_B     0.445     0    0.039   0.093     0.624  100.000   96.825
LGA    Q    72_B      Q    72_B     0.699     0    0.017   1.069     4.119   90.476   80.582
LGA    D    73_B      D    73_B     0.984     0    0.050   0.376     2.013   90.476   83.869
LGA    N    74_B      N    74_B     0.773     0    0.036   0.418     1.782   90.476   88.274
LGA    A    75_B      A    75_B     0.899     0    0.037   0.040     1.064   90.476   88.667
LGA    K    76_B      K    76_B     0.808     0    0.022   0.275     1.344   88.214   88.466
LGA    N    77_B      N    77_B     1.002     0    0.070   0.135     2.402   88.214   79.583
LGA    T    78_B      T    78_B     0.709     0    0.020   1.023     2.480   90.476   84.286
LGA    V    79_B      V    79_B     0.568     0    0.025   1.056     2.742   95.238   85.918
LGA    Y    80_B      Y    80_B     0.352     0    0.008   0.100     0.537  100.000   96.825
LGA    L    81_B      L    81_B     0.302     0    0.078   0.093     0.355  100.000  100.000
LGA    Q    82_B      Q    82_B     0.359     0    0.069   0.155     0.662  100.000   98.942
LGA    M    83_B      M    83_B     0.184     0    0.110   0.811     2.591   97.619   92.262
LGA    N    84_B      N    84_B     0.208     0    0.068   0.207     0.761  100.000   98.810
LGA    S    85_B      S    85_B     0.209     0    0.044   0.639     2.604  100.000   92.857
LGA    L    86_B      L    86_B     0.124     0    0.040   0.284     0.909  100.000   97.619
LGA    K    87_B      K    87_B     0.470     0    0.064   0.512     1.459   97.619   91.640
LGA    P    88_B      P    88_B     0.604     0    0.072   0.116     0.659   90.476   90.476
LGA    E    89_B      E    89_B     0.340     0    0.051   0.822     3.776   97.619   76.878
LGA    D    90_B      D    90_B     0.286     0    0.049   0.137     0.413  100.000  100.000
LGA    T    91_B      T    91_B     0.238     0    0.013   0.096     0.442  100.000  100.000
LGA    A    92_B      A    92_B     0.394     0    0.046   0.050     0.484  100.000  100.000
LGA    M    93_B      M    93_B     0.445     0    0.091   0.954     3.803   97.619   89.345
LGA    Y    94_B      Y    94_B     0.408     0    0.048   0.080     0.673  100.000   96.825
LGA    Y    95_B      Y    95_B     0.190     0    0.011   0.123     0.380  100.000  100.000
LGA    C    96_B      C    96_B     0.135     0    0.048   0.082     0.889  100.000   98.413
LGA    A    97_B      A    97_B     0.199     0    0.022   0.045     0.309  100.000  100.000
LGA    A    98_B      A    98_B     0.180     0    0.035   0.067     0.501   97.619   98.095
LGA    D    99_B      D    99_B     0.435     0    0.161   0.378     1.225   92.976   90.595
LGA    S   100_B      S   100_B     0.298     0    0.705   0.607     2.163   91.190   94.127
LGA    R   101_B      R   101_B     2.788     0    0.583   0.883    13.832   57.262   23.810
LGA    G   102_B      G   102_B     5.774     0    0.218   0.218     7.035   20.476   20.476
LGA    G   103_B      G   103_B     8.324     0    0.546   0.546     9.829    4.524    4.524
LGA    I   104_B      I   104_B     9.269     0    0.108   0.657    10.464    2.976    1.548
LGA    W   105_B      W   105_B     8.901     0    0.067   1.353    11.121    1.071   14.728
LGA    Y   106_B      Y   106_B    11.182     0    0.236   1.590    12.583    0.000    3.016
LGA    E   107_B      E   107_B    10.269     0    0.657   0.770    12.346    0.119    0.053
LGA    Q   108_B      Q   108_B     7.329     0    0.666   1.399    11.151   21.429    9.841
LGA    Q   109_B      Q   109_B     1.259     0    0.661   0.745     7.793   73.571   47.725
LGA    L   110_B      L   110_B     0.814     0    0.173   0.210     3.539   90.476   74.048
LGA    S   111_B      S   111_B     0.599     0    0.142   0.715     1.658   95.238   90.714
LGA    T   112_B      T   112_B     0.980     0    0.053   1.209     3.497   85.952   79.524
LGA    L   113_B      L   113_B     2.382     0    0.054   0.972     3.143   64.881   63.036
LGA    R   114_B      R   114_B     2.169     0    0.047   1.241     9.674   70.833   42.251
LGA    Y   115_B      Y   115_B     0.880     0    0.027   0.116     1.799   85.952   84.484
LGA    N   116_B      N   116_B     0.937     0    0.048   1.167     5.189   90.476   68.750
LGA    Y   117_B      Y   117_B     0.570     0    0.026   0.232     2.897   95.238   80.556
LGA    W   118_B      W   118_B     0.236     0    0.074   0.224     1.004   97.619   93.231
LGA    G   119_B      G   119_B     0.561     0    0.057   0.057     0.598   92.857   92.857
LGA    Q   120_B      Q   120_B     0.777     0    0.158   1.117     6.083   95.238   66.984
LGA    G   121_B      G   121_B     0.499     0    0.110   0.110     1.012   92.976   92.976
LGA    T   122_B      T   122_B     0.507     0    0.101   1.120     2.697   90.476   83.197
LGA    Q   123_B      Q   123_B     0.401     0    0.033   1.072     3.000   97.619   87.196
LGA    V   124_B      V   124_B     0.240     0    0.057   1.123     2.418   97.619   88.571
LGA    T   125_B      T   125_B     0.335     0    0.025   0.576     1.717  100.000   93.401
LGA    V   126_B      V   126_B     0.186     0    0.043   0.100     0.334  100.000  100.000
LGA    S   127_B      S   127_B     0.335     0    0.057   0.707     2.983   92.976   88.175

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     964    964  100.00               128
SUMMARY(RMSD_GDC):     2.223          2.216                  2.940           86.270   80.849

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  128    4.0    119    1.03    90.430    85.661    10.496

LGA_LOCAL      RMSD:   1.034  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.322  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.223  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.348418 * X  +   0.917951 * Y  +  -0.189661 * Z  + -18.452576
  Y_new =  -0.497066 * X  +   0.352489 * Y  +   0.792891 * Z  + -53.410843
  Z_new =   0.794689 * X  +  -0.181983 * Y  +   0.579096 * Z  +  61.293579 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.959434 -0.918495 -0.304482   [DEG:  -54.9715  -52.6259  -17.4456 ]
ZXZ: -2.906803  0.953177  1.795914   [DEG: -166.5475   54.6130  102.8983 ]
 
# END of job
