
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       5_B - 103_B       0.88     1.97
  LCS_AVERAGE:     65.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     Q     5_B     Q     5_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125     58  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     81  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     85  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125     49  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      5    8   18  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125      3   19   81  111  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125      5   59  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     11  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     50  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     78  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125     33  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     62  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      3   49  104  114  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125     20  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125     31  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     83  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     79  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     85  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     85  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125      3   44  109  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      4    5   23   63   99  116  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      7  125  125      4    5   10   32   87  116  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    5    5    6    7    7   18   25   26   58   67   83  124  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    5    5    6    7    7   10   25   26   69  103  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      4    6   14   33   75  106  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    6    9   14   18   30   44   57  100  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    3    3    7   19   28  102  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    3    3    5    8   89  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     83  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     59  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     86  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     59  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     85  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     87  111  113  115  117  117  118  121  121  122  122  124  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.41  (  65.24  100.00  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     87    111    113    115    117    117    118    121    121    122    122    124    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  69.60  88.80  90.40  92.00  93.60  93.60  94.40  96.80  96.80  97.60  97.60  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.43   0.47   0.55   0.67   0.67   0.82   1.20   1.20   1.36   1.36   1.73   1.73   1.90   1.90   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   2.10   2.05   2.04   2.04   2.02   2.02   2.00   1.94   1.94   1.92   1.92   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    61_B      D    61_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    64_B      D    64_B
#   possible swapping detected:  F    70_B      F    70_B
#   possible swapping detected:  D    92_B      D    92_B
#   possible swapping detected:  Y   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.317     0    0.650   0.913     8.740   91.190   52.963
LGA    L     6_B      L     6_B     0.682     0    0.055   0.140     0.879   90.476   90.476
LGA    V     7_B      V     7_B     0.607     0    0.153   0.870     2.705   92.857   85.782
LGA    E     8_B      E     8_B     0.768     0    0.028   0.280     0.906   90.476   90.476
LGA    S     9_B      S     9_B     0.617     0    0.040   0.539     2.447   90.476   86.190
LGA    G    10_B      G    10_B     0.467     0    0.117   0.117     0.562   95.238   95.238
LGA    G    11_B      G    11_B     0.705     0    0.130   0.130     1.364   90.595   90.595
LGA    G    12_B      G    12_B     0.541     0    0.013   0.013     0.672   90.476   90.476
LGA    L    13_B      L    13_B     0.795     0    0.042   0.242     1.941   90.476   87.143
LGA    V    14_B      V    14_B     0.499     0    0.025   0.053     0.567   97.619   98.639
LGA    Q    15_B      Q    15_B     0.487     0    0.000   0.894     3.890   97.619   83.757
LGA    A    16_B      A    16_B     0.322     0    0.028   0.040     0.485  100.000  100.000
LGA    G    17_B      G    17_B     0.334     0    0.066   0.066     0.355  100.000  100.000
LGA    G    18_B      G    18_B     0.361     0    0.132   0.132     1.330   92.976   92.976
LGA    S    19_B      S    19_B     0.367     0    0.039   0.076     0.601   97.619   96.825
LGA    L    20_B      L    20_B     0.301     0    0.032   1.067     2.611   97.619   88.869
LGA    G    21_B      G    21_B     0.406     0    0.100   0.100     0.528   97.619   97.619
LGA    L    22_B      L    22_B     0.367     0    0.034   0.069     0.418  100.000  100.000
LGA    S    23_B      S    23_B     0.456     0    0.026   0.135     0.649   95.238   95.238
LGA    C    24_B      C    24_B     0.654     0    0.067   0.080     0.932   90.476   90.476
LGA    A    25_B      A    25_B     0.655     0    0.041   0.045     0.694   92.857   92.381
LGA    A    26_B      A    26_B     0.697     0    0.007   0.000     0.818   90.476   90.476
LGA    S    27_B      S    27_B     0.309     0    0.142   0.229     2.089   88.810   87.857
LGA    G    28_B      G    28_B     0.885     0    0.522   0.522     3.016   78.333   78.333
LGA    R    29_B      R    29_B     2.425     0    0.491   1.092    10.486   63.095   30.346
LGA    T    30_B      T    30_B     2.735     0    0.075   0.295     5.737   68.929   51.497
LGA    F    31_B      F    31_B     1.648     0    0.245   1.356     6.313   77.143   51.688
LGA    S    32_B      S    32_B     0.969     0    0.060   0.064     1.126   88.214   88.968
LGA    N    33_B      N    33_B     0.871     0    0.087   1.122     3.323   90.476   83.155
LGA    Y    34_B      Y    34_B     1.196     0    0.077   0.214     1.998   81.429   78.571
LGA    V    35_B      V    35_B     0.914     0    0.031   0.902     2.381   90.476   84.286
LGA    M    36_B      M    36_B     0.801     0    0.019   0.773     1.697   92.857   88.333
LGA    A    37_B      A    37_B     0.558     0    0.040   0.053     0.695   92.857   92.381
LGA    W    38_B      W    38_B     0.412     0    0.020   0.120     0.724  100.000   95.918
LGA    F    39_B      F    39_B     0.456     0    0.039   0.083     0.887  100.000   94.805
LGA    R    40_B      R    40_B     0.517     0    0.005   0.114     0.987   95.238   93.074
LGA    Q    41_B      Q    41_B     0.409     0    0.074   0.283     1.543  100.000   91.799
LGA    A    42_B      A    42_B     0.441     0    0.000   0.007     0.457  100.000  100.000
LGA    P    43_B      P    43_B     0.398     0    0.085   0.341     0.691   97.619   95.918
LGA    G    44_B      G    44_B     0.835     0    0.077   0.077     0.835   90.476   90.476
LGA    K    45_B      K    45_B     0.639     0    0.074   0.843     3.332   92.857   80.741
LGA    E    46_B      E    46_B     0.169     0    0.032   0.808     2.245  100.000   86.138
LGA    R    47_B      R    47_B     0.336     0    0.035   0.369     1.777  100.000   94.935
LGA    E    48_B      E    48_B     0.330     0    0.037   0.868     3.066  100.000   81.852
LGA    F    49_B      F    49_B     0.173     0    0.024   0.110     0.525  100.000   99.134
LGA    V    50_B      V    50_B     0.236     0    0.016   0.029     0.349  100.000  100.000
LGA    A    51_B      A    51_B     0.316     0    0.018   0.021     0.438  100.000  100.000
LGA    R    52_B      R    52_B     0.214     0    0.090   1.076     2.385  100.000   86.017
LGA    I    53_B      I    53_B     0.446     0    0.047   0.211     0.604  100.000   97.619
LGA    S    54_B      S    54_B     0.777     0    0.021   0.153     1.258   90.476   88.968
LGA    E    55_B      E    55_B     0.665     0    0.577   1.105     3.993   78.095   71.058
LGA    S    56_B      S    56_B     2.256     0    0.344   0.333     3.966   77.262   65.952
LGA    R    57_B      R    57_B     0.971     0    0.147   0.633     3.284   88.214   75.671
LGA    G    58_B      G    58_B     0.672     0    0.018   0.018     0.763   90.476   90.476
LGA    T    59_B      T    59_B     0.318     0    0.070   0.838     2.103   97.619   89.728
LGA    T    60_B      T    60_B     0.207     0    0.020   0.217     0.686  100.000   98.639
LGA    D    61_B      D    61_B     0.330     0    0.029   0.134     0.680  100.000   97.619
LGA    Y    62_B      Y    62_B     0.190     0    0.039   0.072     0.339  100.000  100.000
LGA    A    63_B      A    63_B     0.181     0    0.018   0.017     0.263  100.000  100.000
LGA    D    64_B      D    64_B     0.250     0    0.088   0.153     0.556  100.000   98.810
LGA    S    65_B      S    65_B     0.532     0    0.018   0.076     0.597   92.857   93.651
LGA    V    66_B      V    66_B     0.575     0    0.034   0.161     0.786   92.857   91.837
LGA    K    67_B      K    67_B     0.552     0    0.016   0.755     4.038   92.857   76.455
LGA    G    68_B      G    68_B     0.450     0    0.064   0.064     0.515   97.619   97.619
LGA    R    69_B      R    69_B     0.181     0    0.070   0.244     0.697  100.000   99.134
LGA    F    70_B      F    70_B     0.131     0    0.009   0.051     0.235  100.000  100.000
LGA    T    71_B      T    71_B     0.156     0    0.024   0.127     0.549  100.000   98.639
LGA    I    72_B      I    72_B     0.215     0    0.015   0.162     0.396  100.000  100.000
LGA    S    73_B      S    73_B     0.191     0    0.026   0.101     0.295  100.000  100.000
LGA    R    74_B      R    74_B     0.383     0    0.063   0.874     2.690  100.000   87.619
LGA    D    75_B      D    75_B     0.395     0    0.064   0.653     2.132  100.000   90.893
LGA    N    76_B      N    76_B     0.425     0    0.154   0.141     1.424   97.619   90.655
LGA    A    77_B      A    77_B     0.285     0    0.043   0.049     0.491  100.000  100.000
LGA    K    78_B      K    78_B     0.613     0    0.033   0.910     2.431   92.857   86.720
LGA    N    79_B      N    79_B     0.398     0    0.013   0.359     1.575   95.238   93.036
LGA    T    80_B      T    80_B     0.554     0    0.061   1.248     2.816   92.857   82.313
LGA    I    81_B      I    81_B     0.569     0    0.000   0.335     1.399   95.238   91.726
LGA    Y    82_B      Y    82_B     0.262     0    0.033   0.093     0.482  100.000  100.000
LGA    L    83_B      L    83_B     0.356     0    0.025   0.182     0.580  100.000   98.810
LGA    Q    84_B      Q    84_B     0.399     0    0.048   0.118     1.113  100.000   94.762
LGA    M    85_B      M    85_B     0.353     0    0.076   0.208     0.912   97.619   96.429
LGA    N    86_B      N    86_B     0.338     0    0.000   0.275     0.774  100.000   98.810
LGA    S    87_B      S    87_B     0.516     0    0.004   0.154     0.993   97.619   95.238
LGA    L    88_B      L    88_B     0.421     0    0.117   0.147     0.686   95.238   97.619
LGA    N    89_B      N    89_B     0.858     0    0.032   0.472     1.320   90.476   87.083
LGA    P    90_B      P    90_B     0.789     0    0.021   0.040     0.878   90.476   90.476
LGA    G    91_B      G    91_B     0.729     0    0.034   0.034     0.778   90.476   90.476
LGA    D    92_B      D    92_B     0.643     0    0.021   0.144     0.701   90.476   90.476
LGA    T    93_B      T    93_B     0.590     0    0.019   0.062     0.684   90.476   90.476
LGA    A    94_B      A    94_B     0.427     0    0.039   0.046     0.543  100.000   98.095
LGA    V    95_B      V    95_B     0.134     0    0.020   0.102     0.276  100.000  100.000
LGA    Y    96_B      Y    96_B     0.134     0    0.030   0.075     0.385  100.000  100.000
LGA    S    97_B      S    97_B     0.370     0    0.023   0.028     0.392  100.000  100.000
LGA    C    98_B      C    98_B     0.423     0    0.026   0.130     0.795   97.619   96.825
LGA    A    99_B      A    99_B     0.502     0    0.040   0.055     0.680   92.857   92.381
LGA    A   100_B      A   100_B     0.943     0    0.019   0.027     1.010   90.476   88.667
LGA    T   101_B      T   101_B     1.096     0    0.051   1.126     3.706   77.262   72.381
LGA    L   102_B      L   102_B     2.309     0    0.050   0.218     5.273   67.024   53.571
LGA    P   103_B      P   103_B     5.134     0    0.675   0.612     6.572   29.048   24.150
LGA    A   104_B      A   104_B     4.799     0    0.046   0.051     6.366   26.786   24.857
LGA    W   105_B      W   105_B     9.113     0    0.084   0.958    12.822    3.214    1.361
LGA    T   106_B      T   106_B     9.240     0    0.087   0.100    10.157    2.857    2.857
LGA    G   107_B      G   107_B     5.953     0    0.650   0.650     6.686   20.595   20.595
LGA    I   108_B      I   108_B     8.484     0    0.629   0.682    13.759    4.524    2.262
LGA    I   109_B      I   109_B     7.258     0    0.589   0.824     8.893   12.619    9.048
LGA    G   110_B      G   110_B     5.364     0    0.626   0.626     5.839   35.238   35.238
LGA    G   111_B      G   111_B     1.063     0    0.615   0.615     1.697   83.810   83.810
LGA    R   112_B      R   112_B     0.662     0    0.020   0.386     1.387   90.476   88.831
LGA    R   113_B      R   113_B     0.744     0    0.030   0.063     1.991   90.476   82.424
LGA    P   114_B      P   114_B     0.696     0    0.040   0.308     0.972   90.476   90.476
LGA    G   115_B      G   115_B     0.852     0    0.048   0.048     0.852   90.476   90.476
LGA    N   116_B      N   116_B     0.766     0    0.063   0.141     1.402   90.476   87.083
LGA    Y   117_B      Y   117_B     0.624     0    0.031   0.076     0.885   90.476   90.476
LGA    P   118_B      P   118_B     0.802     0    0.023   0.049     1.107   90.476   87.891
LGA    Y   119_B      Y   119_B     0.562     0    0.019   0.140     0.772   90.476   90.476
LGA    W   120_B      W   120_B     0.522     0    0.084   0.201     1.143   90.476   89.830
LGA    G   121_B      G   121_B     0.624     0    0.016   0.016     0.807   90.476   90.476
LGA    Q   122_B      Q   122_B     0.790     0    0.025   1.581     7.637   90.476   61.905
LGA    G   123_B      G   123_B     0.356     0    0.093   0.093     0.779   97.619   97.619
LGA    T   124_B      T   124_B     0.347     0    0.036   0.189     0.609  100.000   98.639
LGA    Q   125_B      Q   125_B     0.174     0    0.021   0.152     0.598  100.000   97.884
LGA    V   126_B      V   126_B     0.337     0    0.030   0.134     0.740  100.000   98.639
LGA    T   127_B      T   127_B     0.572     0    0.034   0.100     0.951   92.857   93.197
LGA    V   128_B      V   128_B     0.576     0    0.040   0.079     0.766   90.476   91.837
LGA    S   129_B      S   129_B     0.621     0    0.173   0.224     1.188   85.952   85.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.898          1.874                  2.475           88.658   84.868

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.20    94.400    96.130     9.272

LGA_LOCAL      RMSD:   1.205  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.936  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.898  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.790723 * X  +  -0.535065 * Y  +   0.297425 * Z  + 126.228271
  Y_new =  -0.596027 * X  +  -0.783748 * Y  +   0.174619 * Z  +   4.555780
  Z_new =   0.139674 * X  +  -0.315348 * Y  +  -0.938641 * Z  + -19.706612 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.645912 -0.140132 -2.817477   [DEG:  -37.0080   -8.0290 -161.4296 ]
ZXZ:  2.101677  2.789464  2.724643   [DEG:  120.4172  159.8245  156.1105 ]
 
# END of job
