
#######################################################
#                                                     #
#                        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  130 (  974),  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       1.80     1.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.80     1.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       5_B - 105_B       0.92     1.89
  LCS_AVERAGE:     66.84

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    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    101  125  125     11   93  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    101  125  125     45   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    101  125  125     45   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    101  125  125     57   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    101  125  125     57   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    101  125  125     52   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    101  125  125     49   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    101  125  125     45   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    101  125  125      4   16   29   63  111  113  117  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    101  125  125     59   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    101  125  125     22   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    101  125  125     15   61  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    101  125  125     59   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    101  125  125     60   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    101  125  125     62   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    101  125  125     62   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    101  125  125     62   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    101  125  125     52   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    101  125  125     19   95  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    101  125  125     44   97  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    101  125  125     61   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    101  125  125     62   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    101  125  125     59   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    101  125  125     11   40  104  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    101  125  125      3   96  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    101  125  125     15   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    101  125  125     52   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    101  125  125     52   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    101  125  125     52   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    101  125  125     55   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    101  125  125     37   95  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    101  125  125     62   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    101  125  125     37   97  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    101  125  125     37   95  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    101  125  125     50   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    101  125  125     50   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    101  125  125     57   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    101  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    101  125  125      5   23   81  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    101  125  125     11   40  105  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    101  125  125      6   32   86  112  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      7  125  125      3    6   19   33   65  114  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      3  125  125     16   48   96  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    5    5   10   18   25   47  115  118  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      4  125  125      3    3    5    5   15   61  105  118  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      4  125  125      3    3    5    5    5    6   64   96  103  114  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B      5  125  125      3    5    5    5    5    8    8  106  115  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B      5  125  125      4    5    5    6   44  108  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B      5  125  125      4    5   19   37   51  106  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B      5  125  125      4   10   19   37   51  101  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B      5  125  125      4    5    5    7   18   62  111  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     14  125  125     19   94  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     14  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     14  125  125     19   95  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     14  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     14  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     14  125  125     19   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     14  125  125      8   94  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     14  125  125     30   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     14  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     14  125  125     64   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     14  125  125     62   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     14  125  125     57   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     14  125  125     57   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     14  125  125     48   98  110  113  115  115  119  120  122  122  123  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.95  (  66.84  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     64     98    110    113    115    115    119    120    122    122    123    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  51.20  78.40  88.00  90.40  92.00  92.00  95.20  96.00  97.60  97.60  98.40 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.51   0.64   0.75   0.85   0.85   1.23   1.29   1.49   1.49   1.58   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80
GDT RMS_ALL_AT   1.87   1.93   1.93   1.91   1.87   1.87   1.82   1.82   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  Y    62_B      Y    62_B
#   possible swapping detected:  D    75_B      D    75_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     0.288     0    0.663   0.515    10.094   91.190   50.106
LGA    L     6_B      L     6_B     0.131     0    0.028   0.635     1.762  100.000   94.286
LGA    V     7_B      V     7_B     0.143     0    0.083   0.864     2.103  100.000   89.932
LGA    E     8_B      E     8_B     0.144     0    0.040   0.799     2.742   97.619   85.132
LGA    S     9_B      S     9_B     0.501     0    0.068   0.509     1.372   97.619   93.730
LGA    G    10_B      G    10_B     0.467     0    0.672   0.672     3.021   85.119   85.119
LGA    G    11_B      G    11_B     1.165     0    0.072   0.072     1.335   88.333   88.333
LGA    G    12_B      G    12_B     1.066     0    0.062   0.062     1.066   88.214   88.214
LGA    L    13_B      L    13_B     1.197     0    0.031   0.228     2.162   81.429   78.274
LGA    V    14_B      V    14_B     0.866     0    0.090   1.142     2.838   90.476   83.197
LGA    Q    15_B      Q    15_B     0.635     0    0.033   1.334     5.350   90.476   73.175
LGA    A    16_B      A    16_B     0.558     0    0.050   0.060     0.577   92.857   92.381
LGA    G    17_B      G    17_B     0.817     0    0.057   0.057     0.851   90.476   90.476
LGA    G    18_B      G    18_B     0.847     0    0.114   0.114     1.348   88.214   88.214
LGA    S    19_B      S    19_B     0.763     0    0.034   0.079     1.185   92.857   90.556
LGA    L    20_B      L    20_B     0.413     0    0.104   1.051     2.204   90.595   85.298
LGA    G    21_B      G    21_B     0.687     0    0.113   0.113     0.730   90.476   90.476
LGA    L    22_B      L    22_B     0.274     0    0.043   0.083     0.692  100.000   98.810
LGA    S    23_B      S    23_B     0.350     0    0.050   0.481     1.587  100.000   95.476
LGA    C    24_B      C    24_B     0.236     0    0.022   0.041     0.336  100.000  100.000
LGA    A    25_B      A    25_B     0.256     0    0.038   0.033     0.290  100.000  100.000
LGA    A    26_B      A    26_B     0.180     0    0.035   0.042     0.497  100.000  100.000
LGA    S    27_B      S    27_B     0.626     0    0.220   0.599     3.221   82.262   76.746
LGA    G    28_B      G    28_B     1.203     0    0.194   0.194     3.926   68.095   68.095
LGA    R    29_B      R    29_B     4.084     0    0.312   0.814    15.098   50.357   21.472
LGA    T    30_B      T    30_B     0.936     0    0.111   0.172     2.409   83.810   81.701
LGA    F    31_B      F    31_B     1.390     0    0.045   0.134     2.225   81.548   72.338
LGA    S    32_B      S    32_B     1.586     0    0.027   0.118     2.045   77.143   74.365
LGA    N    33_B      N    33_B     0.711     0    0.032   1.121     3.015   92.857   86.667
LGA    Y    34_B      Y    34_B     0.338     0    0.118   0.193     0.759   97.619   99.206
LGA    V    35_B      V    35_B     0.227     0    0.041   0.949     2.347  100.000   91.088
LGA    M    36_B      M    36_B     0.694     0    0.029   1.317     4.294   92.857   81.667
LGA    A    37_B      A    37_B     0.700     0    0.025   0.033     0.765   90.476   90.476
LGA    W    38_B      W    38_B     0.538     0    0.008   0.231     0.997   95.238   94.558
LGA    F    39_B      F    39_B     0.535     0    0.026   0.088     1.004   92.857   90.519
LGA    R    40_B      R    40_B     0.524     0    0.064   0.468     1.559   92.857   86.450
LGA    Q    41_B      Q    41_B     0.775     0    0.048   0.206     1.404   90.476   87.460
LGA    A    42_B      A    42_B     0.880     0    0.043   0.038     1.022   88.214   88.667
LGA    P    43_B      P    43_B     1.227     0    0.109   0.366     1.762   83.690   82.789
LGA    G    44_B      G    44_B     1.965     0    0.043   0.043     1.965   72.857   72.857
LGA    K    45_B      K    45_B     1.688     0    0.061   0.894     4.647   77.143   64.444
LGA    E    46_B      E    46_B     1.027     0    0.048   0.825     3.339   81.429   71.587
LGA    R    47_B      R    47_B     0.887     0    0.060   0.377     1.984   88.214   83.160
LGA    E    48_B      E    48_B     0.603     0    0.018   0.625     1.931   90.476   89.577
LGA    F    49_B      F    49_B     0.583     0    0.048   0.174     0.958   95.238   92.208
LGA    V    50_B      V    50_B     0.368     0    0.052   0.079     0.493  100.000  100.000
LGA    A    51_B      A    51_B     0.443     0    0.048   0.056     0.524  100.000   98.095
LGA    R    52_B      R    52_B     0.223     0    0.096   1.249     5.864  100.000   77.186
LGA    I    53_B      I    53_B     0.473     0    0.055   0.205     0.673  100.000   96.429
LGA    S    54_B      S    54_B     0.594     0    0.253   0.483     2.376   88.452   84.841
LGA    E    55_B      E    55_B     2.160     0    0.145   1.471     8.996   68.810   40.741
LGA    S    56_B      S    56_B     1.177     0    0.425   0.436     2.266   79.524   75.952
LGA    R    57_B      R    57_B     1.143     0    0.133   1.362     6.934   85.952   62.511
LGA    G    58_B      G    58_B     0.212     0    0.106   0.106     0.401  100.000  100.000
LGA    T    59_B      T    59_B     0.325     0    0.080   0.896     2.260  100.000   89.728
LGA    T    60_B      T    60_B     0.303     0    0.022   0.224     0.580  100.000   98.639
LGA    D    61_B      D    61_B     0.160     0    0.021   0.766     3.543  100.000   84.107
LGA    Y    62_B      Y    62_B     0.426     0    0.045   0.091     0.681   95.238   98.413
LGA    A    63_B      A    63_B     0.654     0    0.025   0.030     0.789   92.857   92.381
LGA    D    64_B      D    64_B     1.005     0    0.036   0.096     1.164   83.690   83.690
LGA    S    65_B      S    65_B     1.262     0    0.061   0.143     1.419   81.429   81.429
LGA    V    66_B      V    66_B     1.035     0    0.051   0.154     1.060   83.690   85.306
LGA    K    67_B      K    67_B     0.918     0    0.008   0.910     4.843   85.952   69.630
LGA    G    68_B      G    68_B     1.358     0    0.097   0.097     1.720   79.286   79.286
LGA    R    69_B      R    69_B     0.694     0    0.020   1.376     4.554   90.476   74.935
LGA    F    70_B      F    70_B     0.341     0    0.037   0.131     1.212  100.000   92.338
LGA    T    71_B      T    71_B     0.210     0    0.036   0.101     0.359  100.000  100.000
LGA    I    72_B      I    72_B     0.317     0    0.020   0.199     0.733  100.000   98.810
LGA    S    73_B      S    73_B     0.178     0    0.025   0.070     0.453  100.000  100.000
LGA    R    74_B      R    74_B     0.328     0    0.041   1.450     6.987   97.619   72.035
LGA    D    75_B      D    75_B     0.345     0    0.052   0.524     1.711  100.000   94.226
LGA    N    76_B      N    76_B     0.284     0    0.145   0.894     3.938   92.976   79.643
LGA    A    77_B      A    77_B     0.485     0    0.000   0.013     0.606   97.619   96.190
LGA    K    78_B      K    78_B     0.440     0    0.069   0.866     2.001  100.000   88.889
LGA    N    79_B      N    79_B     0.256     0    0.009   0.466     1.276  100.000   96.488
LGA    T    80_B      T    80_B     0.212     0    0.035   0.270     0.697  100.000   97.279
LGA    I    81_B      I    81_B     0.293     0    0.030   1.215     2.759  100.000   84.881
LGA    Y    82_B      Y    82_B     0.260     0    0.050   0.122     0.935  100.000   96.032
LGA    L    83_B      L    83_B     0.461     0    0.025   0.199     0.678   97.619   97.619
LGA    Q    84_B      Q    84_B     0.478     0    0.049   0.081     1.050   97.619   93.704
LGA    M    85_B      M    85_B     0.476     0    0.071   0.664     1.739   97.619   91.905
LGA    N    86_B      N    86_B     0.458     0    0.013   0.323     0.627   97.619   96.429
LGA    S    87_B      S    87_B     0.273     0    0.022   0.149     0.763   97.619   96.825
LGA    L    88_B      L    88_B     0.125     0    0.064   0.090     0.319  100.000  100.000
LGA    N    89_B      N    89_B     0.197     0    0.055   0.963     3.940   95.238   80.536
LGA    P    90_B      P    90_B     1.339     0    0.064   0.084     1.577   79.286   80.204
LGA    G    91_B      G    91_B     1.534     0    0.026   0.026     1.534   79.286   79.286
LGA    D    92_B      D    92_B     0.884     0    0.031   0.252     1.082   88.214   90.536
LGA    T    93_B      T    93_B     0.985     0    0.046   0.117     1.092   90.476   89.184
LGA    A    94_B      A    94_B     0.922     0    0.049   0.073     1.007   88.214   86.857
LGA    V    95_B      V    95_B     0.547     0    0.051   0.125     0.816   90.476   93.197
LGA    Y    96_B      Y    96_B     0.361     0    0.054   0.082     0.582  100.000   98.413
LGA    S    97_B      S    97_B     0.428     0    0.037   0.674     2.040  100.000   92.540
LGA    C    98_B      C    98_B     0.261     0    0.019   0.103     0.442  100.000  100.000
LGA    A    99_B      A    99_B     0.432     0    0.052   0.067     0.683  100.000   98.095
LGA    A   100_B      A   100_B     0.318     0    0.037   0.043     0.506  100.000   98.095
LGA    T   101_B      T   101_B     0.165     0    0.063   0.106     0.712   97.619   94.558
LGA    L   102_B      L   102_B     0.669     0    0.028   0.176     2.360   88.333   82.857
LGA    P   103_B      P   103_B     2.422     0    0.035   0.084     3.104   63.095   60.612
LGA    A   104_B      A   104_B     2.008     0    0.059   0.069     3.103   63.095   66.762
LGA    W   105_B      W   105_B     3.075     0    0.425   0.561     6.173   47.381   43.469
LGA    T   106_B      T   106_B     4.779     0    0.026   0.089     7.412   37.381   29.592
LGA    G   107_B      G   107_B     2.179     0    0.599   0.599     3.318   61.071   61.071
LGA    I   108_B      I   108_B     5.377     0    0.035   0.199    11.603   33.095   17.381
LGA    I   109_B      I   109_B     6.021     0    0.572   1.286    12.550   20.476   10.774
LGA    G   110_B      G   110_B     8.452     0    0.340   0.340     9.469    6.667    6.667
LGA    G   111_B      G   111_B     6.229     0    0.659   0.659     6.229   20.357   20.357
LGA    R   112_B      R   112_B     4.263     0    0.144   0.366     5.026   35.714   35.195
LGA    R   113_B      R   113_B     5.012     0    0.058   0.705     8.314   30.119   20.043
LGA    P   114_B      P   114_B     4.985     0    0.027   0.035     6.179   28.810   25.034
LGA    G   115_B      G   115_B     6.294     0    0.554   0.554     6.294   31.310   31.310
LGA    N   116_B      N   116_B     1.183     0    0.635   0.699     7.587   79.881   52.798
LGA    Y   117_B      Y   117_B     0.333     0    0.110   0.287     0.795   92.857   95.238
LGA    P   118_B      P   118_B     0.947     0    0.038   0.090     1.281   90.476   89.252
LGA    Y   119_B      Y   119_B     0.237     0    0.024   0.236     1.616  100.000   90.714
LGA    W   120_B      W   120_B     0.098     0    0.054   0.252     1.004  100.000   95.952
LGA    G   121_B      G   121_B     0.757     0    0.035   0.035     0.943   92.857   92.857
LGA    Q   122_B      Q   122_B     1.524     0    0.629   1.291     4.513   62.619   61.270
LGA    G   123_B      G   123_B     0.920     0    0.149   0.149     0.920   90.476   90.476
LGA    T   124_B      T   124_B     0.338     0    0.042   1.008     2.236  100.000   89.728
LGA    Q   125_B      Q   125_B     0.424     0    0.045   0.304     0.966   95.238   96.825
LGA    V   126_B      V   126_B     0.671     0    0.040   0.165     1.004   90.476   90.544
LGA    T   127_B      T   127_B     0.893     0    0.084   0.151     1.351   90.476   89.184
LGA    V   128_B      V   128_B     0.857     0    0.068   0.084     0.941   90.476   90.476
LGA    S   129_B      S   129_B     1.029     0    0.196   0.895     2.946   79.405   77.540

# 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):     1.797          1.759                  2.484           85.954   81.051

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    120    1.29    91.200    94.940     8.655

LGA_LOCAL      RMSD:   1.286  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.819  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.797  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.239421 * X  +   0.953096 * Y  +  -0.185166 * Z  + 125.527840
  Y_new =   0.970829 * X  +  -0.237551 * Y  +   0.032556 * Z  +   3.728071
  Z_new =  -0.012957 * X  +  -0.187559 * Y  +  -0.982168 * Z  +   5.368234 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.329006  0.012958 -2.952900   [DEG:   76.1465    0.7424 -169.1887 ]
ZXZ: -1.744839  2.952461 -3.072619   [DEG:  -99.9719  169.1636 -176.0481 ]
 
# END of job
