
#######################################################
#                                                     #
#                        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 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       3.30     3.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      69_A - 129_A       1.79     3.56
  LCS_AVERAGE:     45.51

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      11_A - 63_A        0.98     3.63
  LCS_AVERAGE:     31.90

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     L     5_A     L     5_A      3    4  125      0    3    4    4    6    6    6    7    8    8    9   10   10   11   14   14   20   29   47   65 
LCS_GDT     K     6_A     K     6_A      3    4  125      0    3    4    4    4    4    6    7    8    8    9   12   13   16   19   35   84   92  117  117 
LCS_GDT     C     7_A     C     7_A      5   57  125      3    4    5    6    6    8   13   34   63  109  116  116  117  117  118  120  121  123  123  123 
LCS_GDT     T     8_A     T     8_A      5   57  125      3    4    5    7   16   51   68   80  113  115  116  116  117  117  119  122  122  123  123  123 
LCS_GDT     F     9_A     F     9_A      5   57  125      3    4    5   10   39   86  111  114  114  115  116  118  118  120  121  122  122  123  123  123 
LCS_GDT     S    10_A     S    10_A     29   57  125      3    5   13   64  102  109  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    11_A     A    11_A     53   57  125      4   39   80   99  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     P    12_A     P    12_A     53   57  125     25   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     S    13_A     S    13_A     53   57  125     11   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     H    14_A     H    14_A     53   57  125     30   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     S    15_A     S    15_A     53   57  125     34   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     T    16_A     T    16_A     53   57  125     30   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     S    17_A     S    17_A     53   57  125     31   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    18_A     L    18_A     53   57  125     34   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    19_A     L    19_A     53   57  125     27   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Q    20_A     Q    20_A     53   57  125     34   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G    21_A     G    21_A     53   57  125     30   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    22_A     L    22_A     53   57  125     34   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    23_A     A    23_A     53   57  125     33   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     T    24_A     T    24_A     53   57  125     30   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    25_A     L    25_A     53   57  125     33   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     R    26_A     R    26_A     53   57  125     33   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    27_A     A    27_A     53   57  125     23   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Q    28_A     Q    28_A     53   57  125     23   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G    29_A     G    29_A     53   57  125      9   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Q    30_A     Q    30_A     53   57  125     34   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    31_A     L    31_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    32_A     L    32_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D    33_A     D    33_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    34_A     V    34_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    35_A     V    35_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    36_A     L    36_A     53   57  125     36   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     T    37_A     T    37_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     I    38_A     I    38_A     53   57  125     18   57   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     N    39_A     N    39_A     53   57  125      3   35   86  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     R    40_A     R    40_A     53   57  125      3   23   69  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     E    41_A     E    41_A     53   57  125     17   61   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    42_A     A    42_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     F    43_A     F    43_A     53   57  125     21   64   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     P    44_A     P    44_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    45_A     A    45_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     H    46_A     H    46_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     K    47_A     K    47_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    48_A     V    48_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    49_A     V    49_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    50_A     L    50_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    51_A     A    51_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    52_A     A    52_A     53   57  125     17   66   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     C    53_A     C    53_A     53   57  125     15   54   85  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     S    54_A     S    54_A     53   57  125     20   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D    55_A     D    55_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Y    56_A     Y    56_A     53   57  125     27   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     F    57_A     F    57_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     R    58_A     R    58_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    59_A     A    59_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     M    60_A     M    60_A     53   57  125     34   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     F    61_A     F    61_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     T    62_A     T    62_A     53   57  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G    63_A     G    63_A     53   57  125      4   31   71   98  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G    64_A     G    64_A      5   57  125      3    4    8   18   27   39  101  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     M    65_A     M    65_A      5   56  125      3    4    5    7    9   17   20   32   46  100  107  118  119  120  121  122  122  123  123  123 
LCS_GDT     R    66_A     R    66_A      4    7  125      3    3    4    6    9   13   26   32   46   69   79  118  119  120  121  122  122  123  123  123 
LCS_GDT     E    67_A     E    67_A      4    7  125      3    3    4    7    9   15   19   37   51   87  111  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    68_A     A    68_A      5    6  125      3    4    4    5    6    8   10   16   37   43  102  112  119  120  121  122  122  123  123  123 
LCS_GDT     S    69_A     S    69_A      5   61  125      3    4    4    8   11   36   69  105  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Q    70_A     Q    70_A      5   61  125      3    4    4   30   48   76  107  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D    71_A     D    71_A     29   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    72_A     V    72_A     29   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     I    73_A     I    73_A     29   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     E    74_A     E    74_A     29   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    75_A     L    75_A     29   61  125     30   68   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     K    76_A     K    76_A     29   61  125      4   47   75  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G    77_A     G    77_A     29   61  125      4   41   83  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    78_A     V    78_A     29   61  125      3   47   76  101  107  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     S    79_A     S    79_A     29   61  125     17   40   75   98  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    80_A     A    80_A     29   61  125     21   59   84  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     R    81_A     R    81_A     29   61  125     24   64   86  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G    82_A     G    82_A     37   61  125     30   68   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    83_A     L    83_A     37   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     R    84_A     R    84_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     H    85_A     H    85_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     I    86_A     I    86_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     I    87_A     I    87_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D    88_A     D    88_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     F    89_A     F    89_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    90_A     A    90_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Y    91_A     Y    91_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     S    92_A     S    92_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A    93_A     A    93_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     E    94_A     E    94_A     38   61  125     37   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V    95_A     V    95_A     38   61  125     31   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     T    96_A     T    96_A     38   61  125     27   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    97_A     L    97_A     38   61  125      4   24   83   97  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D    98_A     D    98_A     38   61  125     33   69   86  100  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L    99_A     L    99_A     38   61  125      4   51   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D   100_A     D   100_A     38   61  125     14   42   84  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     C   101_A     C   101_A     38   61  125     18   63   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V   102_A     V   102_A     38   61  125     20   65   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Q   103_A     Q   103_A     38   61  125     14   49   86  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     D   104_A     D   104_A     38   61  125     14   58   85  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V   105_A     V   105_A     38   61  125     21   66   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L   106_A     L   106_A     38   61  125     21   67   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     G   107_A     G   107_A     38   61  125     25   67   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A   108_A     A   108_A     38   61  125     25   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A   109_A     A   109_A     38   61  125     25   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V   110_A     V   110_A     38   61  125     25   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     F   111_A     F   111_A     38   61  125     25   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L   112_A     L   112_A     38   61  125     25   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     Q   113_A     Q   113_A     38   61  125     21   69   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     M   114_A     M   114_A     38   61  125     20   65   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L   115_A     L   115_A     38   61  125     20   67   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     P   116_A     P   116_A     38   61  125     20   67   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V   117_A     V   117_A     38   61  125     20   67   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     V   118_A     V   118_A     38   61  125     20   67   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     E   119_A     E   119_A     38   61  125     18   54   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L   120_A     L   120_A     38   61  125     18   46   85  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     C   121_A     C   121_A     38   61  125     20   65   87  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     E   122_A     E   122_A     38   61  125     10   49   86  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     E   123_A     E   123_A     31   61  125     11   28   64   97  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     F   124_A     F   124_A     31   61  125     14   38   75   99  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     L   125_A     L   125_A     31   61  125     18   49   85  101  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     K   126_A     K   126_A     31   61  125     10   28   61   94  108  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A   127_A     A   127_A     31   61  125     10   28   46   78  104  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     A   128_A     A   128_A     31   61  125      5   13   42   70  104  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_GDT     M   129_A     M   129_A     31   61  125      5    5   29   69   97  112  113  114  115  116  116  118  119  120  121  122  122  123  123  123 
LCS_AVERAGE  LCS_A:  59.14  (  31.90   45.51  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     37     69     87    101    108    112    113    114    115    116    116    118    119    120    121    122    122    123    123    123 
GDT PERCENT_AT  29.60  55.20  69.60  80.80  86.40  89.60  90.40  91.20  92.00  92.80  92.80  94.40  95.20  96.00  96.80  97.60  97.60  98.40  98.40  98.40
GDT RMS_LOCAL    0.36   0.62   0.84   1.08   1.24   1.39   1.45   1.53   1.67   1.81   1.74   2.03   2.32   2.44   2.49   2.59   2.59   2.70   2.70   2.70
GDT RMS_ALL_AT   3.73   3.60   3.51   3.47   3.43   3.40   3.38   3.37   3.36   3.35   3.35   3.34   3.38   3.37   3.36   3.34   3.34   3.32   3.32   3.32

# Checking swapping
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   119_A      E   119_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A    16.370     0    0.224   0.265    21.740    0.000    0.000
LGA    K     6_A      K     6_A    13.561     0    0.422   1.236    15.382    0.000    0.000
LGA    C     7_A      C     7_A     8.664     0    0.585   0.754    11.030    7.976    5.397
LGA    T     8_A      T     8_A     8.178     0    0.087   0.148    10.641    4.048    2.449
LGA    F     9_A      F     9_A     5.294     0    0.064   1.125    11.489   30.476   16.450
LGA    S    10_A      S    10_A     4.142     0    0.260   0.760     8.392   51.071   37.063
LGA    A    11_A      A    11_A     2.079     0    0.187   0.235     3.198   67.262   63.810
LGA    P    12_A      P    12_A     0.993     0    0.056   0.065     1.122   85.952   86.599
LGA    S    13_A      S    13_A     0.845     0    0.049   0.667     2.490   90.476   84.683
LGA    H    14_A      H    14_A     0.532     0    0.019   1.103     2.210   95.238   87.333
LGA    S    15_A      S    15_A     0.274     0    0.070   0.649     1.544   97.619   92.302
LGA    T    16_A      T    16_A     0.770     0    0.036   1.125     2.824   90.476   81.905
LGA    S    17_A      S    17_A     0.716     0    0.034   0.663     2.931   90.476   84.921
LGA    L    18_A      L    18_A     0.596     0    0.036   1.206     2.547   90.476   83.095
LGA    L    19_A      L    19_A     0.946     0    0.066   0.876     3.070   90.476   77.857
LGA    Q    20_A      Q    20_A     0.932     0    0.049   0.894     3.071   88.214   82.963
LGA    G    21_A      G    21_A     0.958     0    0.045   0.045     0.981   90.476   90.476
LGA    L    22_A      L    22_A     0.750     0    0.040   0.171     0.946   90.476   92.857
LGA    A    23_A      A    23_A     0.971     0    0.030   0.041     1.147   85.952   86.857
LGA    T    24_A      T    24_A     1.112     0    0.062   1.174     3.777   81.429   72.517
LGA    L    25_A      L    25_A     1.062     0    0.034   0.366     1.425   81.429   82.560
LGA    R    26_A      R    26_A     1.006     0    0.032   0.890     4.139   83.690   76.364
LGA    A    27_A      A    27_A     1.555     0    0.064   0.063     2.186   72.976   72.952
LGA    Q    28_A      Q    28_A     1.742     0    0.180   1.213     3.764   72.857   69.788
LGA    G    29_A      G    29_A     1.935     0    0.077   0.077     2.125   70.833   70.833
LGA    Q    30_A      Q    30_A     1.580     0    0.054   1.361     5.344   77.143   62.751
LGA    L    31_A      L    31_A     1.500     0    0.056   0.153     1.844   79.286   77.143
LGA    L    32_A      L    32_A     0.946     0    0.114   1.006     4.165   88.214   78.214
LGA    D    33_A      D    33_A     1.215     0    0.121   0.176     1.333   85.952   84.821
LGA    V    34_A      V    34_A     0.902     0    0.016   0.119     0.957   90.476   90.476
LGA    V    35_A      V    35_A     0.914     0    0.047   0.068     1.438   90.476   86.599
LGA    L    36_A      L    36_A     0.771     0    0.071   0.193     1.216   90.476   85.952
LGA    T    37_A      T    37_A     0.940     0    0.087   1.137     2.403   88.214   81.837
LGA    I    38_A      I    38_A     1.494     0    0.052   1.402     3.873   77.143   70.417
LGA    N    39_A      N    39_A     1.759     0    0.624   1.276     4.567   71.071   64.881
LGA    R    40_A      R    40_A     2.369     0    0.251   0.990     8.234   73.452   40.173
LGA    E    41_A      E    41_A     1.566     0    0.096   0.933     2.735   79.405   73.122
LGA    A    42_A      A    42_A     0.863     0    0.081   0.081     1.560   81.548   81.524
LGA    F    43_A      F    43_A     1.489     0    0.138   0.244     2.869   81.429   71.645
LGA    P    44_A      P    44_A     1.219     0    0.037   0.120     1.837   81.429   77.755
LGA    A    45_A      A    45_A     0.770     0    0.025   0.041     0.923   90.476   90.476
LGA    H    46_A      H    46_A     0.703     0    0.063   1.131     2.523   92.857   82.857
LGA    K    47_A      K    47_A     0.757     0    0.031   0.596     1.715   90.476   84.497
LGA    V    48_A      V    48_A     0.909     0    0.071   1.009     2.954   90.476   83.129
LGA    V    49_A      V    49_A     0.524     0    0.022   0.082     0.643   92.857   95.918
LGA    L    50_A      L    50_A     0.334     0    0.034   0.057     0.789   95.238   95.238
LGA    A    51_A      A    51_A     0.878     0    0.070   0.067     1.561   83.810   83.333
LGA    A    52_A      A    52_A     1.393     0    0.159   0.164     1.945   79.286   78.000
LGA    C    53_A      C    53_A     1.678     0    0.218   0.758     2.182   81.548   78.730
LGA    S    54_A      S    54_A     1.182     0    0.033   0.060     1.346   83.690   82.937
LGA    D    55_A      D    55_A     1.117     0    0.059   0.291     2.925   85.952   77.500
LGA    Y    56_A      Y    56_A     0.539     0    0.041   0.183     2.477   95.238   85.476
LGA    F    57_A      F    57_A     0.367     0    0.041   0.161     0.946  100.000   95.671
LGA    R    58_A      R    58_A     0.622     0    0.038   1.487     6.443   90.476   68.268
LGA    A    59_A      A    59_A     0.527     0    0.028   0.034     0.550   92.857   94.286
LGA    M    60_A      M    60_A     0.344     0    0.041   0.284     0.787   95.238   95.238
LGA    F    61_A      F    61_A     0.723     0    0.040   0.235     1.125   90.595   89.697
LGA    T    62_A      T    62_A     1.412     0    0.172   1.177     4.399   85.952   72.993
LGA    G    63_A      G    63_A     2.574     0    0.229   0.229     4.161   54.762   54.762
LGA    G    64_A      G    64_A     6.640     0    0.256   0.256    10.599   11.905   11.905
LGA    M    65_A      M    65_A    10.623     0    0.120   0.984    17.421    3.571    1.786
LGA    R    66_A      R    66_A    10.618     0    0.641   1.343    18.410    0.238    0.087
LGA    E    67_A      E    67_A     9.178     0    0.651   1.161    10.911    2.143    1.217
LGA    A    68_A      A    68_A     9.738     0    0.692   0.648    11.333    6.548    5.238
LGA    S    69_A      S    69_A     8.400     0    0.372   0.626    12.584    7.381    4.921
LGA    Q    70_A      Q    70_A     6.631     0    0.093   0.984    13.103   25.238   11.587
LGA    D    71_A      D    71_A     1.186     0    0.673   1.131     6.907   75.357   51.964
LGA    V    72_A      V    72_A     0.969     0    0.086   0.097     1.348   85.952   85.306
LGA    I    73_A      I    73_A     0.659     0    0.093   0.112     1.144   90.476   89.345
LGA    E    74_A      E    74_A     0.594     0    0.031   1.222     5.860   90.476   67.249
LGA    L    75_A      L    75_A     0.940     0    0.249   1.007     2.427   83.810   81.726
LGA    K    76_A      K    76_A     2.390     0    0.159   0.684     2.842   66.786   65.132
LGA    G    77_A      G    77_A     2.114     0    0.055   0.055     2.218   64.762   64.762
LGA    V    78_A      V    78_A     2.506     0    0.066   0.981     5.505   64.881   58.707
LGA    S    79_A      S    79_A     2.739     0    0.152   0.541     3.700   62.976   60.000
LGA    A    80_A      A    80_A     2.181     0    0.050   0.067     2.593   68.810   66.476
LGA    R    81_A      R    81_A     2.037     0    0.025   1.444     5.327   68.810   64.459
LGA    G    82_A      G    82_A     1.635     0    0.039   0.039     1.815   77.143   77.143
LGA    L    83_A      L    83_A     1.118     0    0.043   0.072     1.375   85.952   85.952
LGA    R    84_A      R    84_A     1.157     0    0.061   1.653     9.025   85.952   54.242
LGA    H    85_A      H    85_A     1.023     0    0.025   0.321     2.537   85.952   77.429
LGA    I    86_A      I    86_A     0.804     0    0.040   0.742     2.605   90.476   85.179
LGA    I    87_A      I    87_A     0.590     0    0.033   0.072     1.335   95.238   90.595
LGA    D    88_A      D    88_A     0.675     0    0.038   0.991     3.167   95.238   78.393
LGA    F    89_A      F    89_A     0.260     0    0.049   0.051     0.839  100.000   95.671
LGA    A    90_A      A    90_A     0.228     0    0.038   0.039     0.302  100.000  100.000
LGA    Y    91_A      Y    91_A     0.346     0    0.179   0.209     1.196   92.976   97.659
LGA    S    92_A      S    92_A     0.535     0    0.036   0.075     0.747   90.476   90.476
LGA    A    93_A      A    93_A     0.578     0    0.019   0.026     0.652   90.476   90.476
LGA    E    94_A      E    94_A     0.602     0    0.042   0.842     2.464   88.214   80.000
LGA    V    95_A      V    95_A     0.855     0    0.027   1.133     3.053   90.476   82.177
LGA    T    96_A      T    96_A     0.984     0    0.110   0.965     2.927   83.810   78.231
LGA    L    97_A      L    97_A     2.474     0    0.049   1.320     3.356   68.810   62.143
LGA    D    98_A      D    98_A     2.113     0    0.041   1.185     3.531   73.095   65.298
LGA    L    99_A      L    99_A     1.730     0    0.080   1.401     2.754   72.976   71.190
LGA    D   100_A      D   100_A     1.711     0    0.032   0.919     3.170   75.238   70.179
LGA    C   101_A      C   101_A     0.958     0    0.076   0.755     2.510   85.952   81.905
LGA    V   102_A      V   102_A     0.925     0    0.041   1.220     2.817   85.952   79.456
LGA    Q   103_A      Q   103_A     1.453     0    0.027   1.256     2.880   81.429   73.175
LGA    D   104_A      D   104_A     1.411     0    0.046   0.466     2.816   81.429   75.238
LGA    V   105_A      V   105_A     0.794     0    0.033   0.085     1.072   90.476   89.184
LGA    L   106_A      L   106_A     0.685     0    0.035   0.130     0.900   90.476   90.476
LGA    G   107_A      G   107_A     0.679     0    0.025   0.025     0.736   90.476   90.476
LGA    A   108_A      A   108_A     0.575     0    0.051   0.050     0.685   90.476   90.476
LGA    A   109_A      A   109_A     0.455     0    0.029   0.039     0.569  100.000   98.095
LGA    V   110_A      V   110_A     0.356     0    0.029   0.109     0.500  100.000  100.000
LGA    F   111_A      F   111_A     0.409     0    0.038   0.588     2.737   95.238   83.723
LGA    L   112_A      L   112_A     0.878     0    0.137   0.138     1.956   88.214   81.607
LGA    Q   113_A      Q   113_A     1.026     0    0.033   0.559     2.559   83.690   81.799
LGA    M   114_A      M   114_A     1.153     0    0.116   0.851     2.210   83.690   80.476
LGA    L   115_A      L   115_A     1.155     0    0.048   1.476     5.427   83.690   65.357
LGA    P   116_A      P   116_A     1.060     0    0.069   0.361     1.375   81.429   81.429
LGA    V   117_A      V   117_A     0.935     0    0.014   1.159     3.021   90.476   81.020
LGA    V   118_A      V   118_A     0.558     0    0.036   0.084     0.936   90.476   94.558
LGA    E   119_A      E   119_A     1.154     0    0.040   0.751     2.758   81.548   74.127
LGA    L   120_A      L   120_A     1.570     0    0.053   1.433     4.847   75.000   64.821
LGA    C   121_A      C   121_A     0.924     0    0.035   0.064     1.139   85.952   87.460
LGA    E   122_A      E   122_A     1.363     0    0.030   0.152     2.032   77.381   78.677
LGA    E   123_A      E   123_A     2.502     0    0.033   0.813     7.828   61.071   42.910
LGA    F   124_A      F   124_A     2.136     0    0.059   0.073     2.239   66.786   69.177
LGA    L   125_A      L   125_A     1.564     0    0.027   0.882     2.257   70.833   74.107
LGA    K   126_A      K   126_A     2.731     0    0.028   1.426     8.070   53.810   39.894
LGA    A   127_A      A   127_A     3.451     0    0.042   0.048     4.095   45.119   46.095
LGA    A   128_A      A   128_A     3.607     0    0.102   0.101     4.216   43.452   44.762
LGA    M   129_A      M   129_A     3.923     0    0.101   0.929     7.316   40.238   34.345

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     3.304          3.161                  4.001           75.482   70.540

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    114    1.53    81.200    75.083     7.005

LGA_LOCAL      RMSD:   1.527  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.374  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   3.304  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.697242 * X  +  -0.638430 * Y  +   0.325975 * Z  +  -6.768528
  Y_new =  -0.707977 * X  +  -0.542038 * Y  +   0.452728 * Z  +   6.329318
  Z_new =  -0.112344 * X  +  -0.546445 * Y  +  -0.829926 * Z  + -36.528751 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.793037  0.112582 -2.559317   [DEG:  -45.4377    6.4505 -146.6381 ]
ZXZ:  2.517554  2.549771 -2.938827   [DEG:  144.2452  146.0911 -168.3824 ]
 
# END of job
