
#######################################################
#                                                     #
#                        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       1.39     1.39
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.39     1.39
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      66_A - 129_A       0.89     1.45
  LCS_AVERAGE:     47.78

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      9  125  125      7    7    8   10   11   19  115  116  121  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     51  125  125      7   15   23   61   90  118  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     57  125  125      7   50  106  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     57  125  125     21   62  106  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     57  125  125     10   77  107  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     57  125  125     25   84  107  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     57  125  125     14   49  100  117  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     57  125  125     21   70  107  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     57  125  125     21   84  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     57  125  125     23   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A     57  125  125      4   69  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     57  125  125     24   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     57  125  125     37   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A     57  125  125     25   84  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A     57  125  125     15   56  101  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A     57  125  125      3   48   82  115  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A     57  125  125     31   76  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A     57  125  125     37   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A     57  125  125     37   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A     57  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A     57  125  125     21   84  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A     57  125  125     24   85  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A     57  125  125     26   82  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A     57  125  125     36   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A     57  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A     57  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     57  125  125     21   85  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A     57  125  125     21   85  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A     57  125  125     17   52  107  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     57  125  125      8   40   89  112  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A     57  125  125     11   53  106  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A     57  125  125     31   68  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A      4  125  125      3    4    5    8   17   33   58  100  117  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A     64  125  125      3   14   37   75  118  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A     64  125  125      4   25   99  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A     64  125  125      6   63  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A     64  125  125     31   75  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A     64  125  125     28   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A     64  125  125     23   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A     64  125  125     15   71  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     64  125  125     24   85  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A     64  125  125     23   80  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A     64  125  125      3   63  106  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A     64  125  125      5   43  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A     64  125  125     23   76  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A     64  125  125     26   81  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     64  125  125     29   84  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     64  125  125     34   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A     64  125  125     37   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A     64  125  125     35   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A     64  125  125     30   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A     64  125  125     17   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A     64  125  125     17   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A     64  125  125      4   75  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A     64  125  125     18   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A     64  125  125     37   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A     64  125  125     39   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     64  125  125     34   85  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     64  125  125     38   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     64  125  125     36   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     64  125  125     36   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     64  125  125     34   86  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     64  125  125     31   75  108  118  120  122  123  123  123  124  124  124  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  82.59  (  47.78  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     39     86    108    118    120    122    123    123    123    124    124    124    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  31.20  68.80  86.40  94.40  96.00  97.60  98.40  98.40  98.40  99.20  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.62   0.83   0.95   0.99   1.06   1.12   1.12   1.12   1.26   1.26   1.26   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39
GDT RMS_ALL_AT   1.48   1.42   1.41   1.40   1.41   1.41   1.40   1.40   1.40   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39

# Checking swapping
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   123_A      E   123_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_A      L     5_A     6.662     0    0.238   1.459     9.084   11.905    7.976
LGA    K     6_A      K     6_A     4.209     0    0.062   0.813     9.478   55.119   32.963
LGA    C     7_A      C     7_A     1.732     0    0.051   0.168     4.093   63.214   56.667
LGA    T     8_A      T     8_A     2.172     0    0.011   0.037     5.134   77.381   58.639
LGA    F     9_A      F     9_A     1.337     0    0.008   0.107     6.586   73.214   44.156
LGA    S    10_A      S    10_A     1.420     0    0.040   0.600     3.029   81.548   72.222
LGA    A    11_A      A    11_A     0.970     0    0.117   0.124     1.552   81.548   83.333
LGA    P    12_A      P    12_A     2.554     0    0.684   0.622     4.464   56.071   57.687
LGA    S    13_A      S    13_A     1.621     0    0.037   0.650     3.722   77.143   70.794
LGA    H    14_A      H    14_A     0.861     0    0.043   0.195     1.185   88.214   90.524
LGA    S    15_A      S    15_A     0.958     0    0.031   0.655     1.425   88.214   85.952
LGA    T    16_A      T    16_A     1.232     0    0.027   0.032     1.654   81.429   78.980
LGA    S    17_A      S    17_A     0.878     0    0.043   0.045     0.995   90.476   90.476
LGA    L    18_A      L    18_A     0.700     0    0.011   1.373     2.796   90.476   81.012
LGA    L    19_A      L    19_A     1.036     0    0.029   1.385     3.106   83.690   76.548
LGA    Q    20_A      Q    20_A     1.106     0    0.015   0.734     2.527   81.429   79.735
LGA    G    21_A      G    21_A     0.876     0    0.075   0.075     0.942   90.476   90.476
LGA    L    22_A      L    22_A     0.809     0    0.012   0.088     0.936   90.476   90.476
LGA    A    23_A      A    23_A     0.818     0    0.012   0.019     0.853   90.476   90.476
LGA    T    24_A      T    24_A     0.855     0    0.091   1.136     3.404   90.476   82.177
LGA    L    25_A      L    25_A     0.742     0    0.032   0.124     0.839   90.476   91.667
LGA    R    26_A      R    26_A     0.733     0    0.017   0.270     1.014   90.476   90.519
LGA    A    27_A      A    27_A     0.995     0    0.023   0.032     1.197   85.952   85.048
LGA    Q    28_A      Q    28_A     1.127     0    0.022   0.884     2.744   81.429   78.730
LGA    G    29_A      G    29_A     1.066     0    0.048   0.048     1.236   83.690   83.690
LGA    Q    30_A      Q    30_A     0.701     0    0.076   0.397     1.657   92.857   89.577
LGA    L    31_A      L    31_A     1.474     0    0.117   1.446     5.646   77.262   62.083
LGA    L    32_A      L    32_A     0.768     0    0.057   0.219     1.061   90.476   89.345
LGA    D    33_A      D    33_A     0.323     0    0.018   0.077     0.473  100.000  100.000
LGA    V    34_A      V    34_A     0.306     0    0.016   0.063     0.567   97.619   97.279
LGA    V    35_A      V    35_A     0.353     0    0.041   0.050     0.713   95.238   97.279
LGA    L    36_A      L    36_A     0.742     0    0.036   0.124     1.042   90.476   88.214
LGA    T    37_A      T    37_A     0.626     0    0.037   1.129     2.533   90.476   80.952
LGA    I    38_A      I    38_A     1.132     0    0.061   0.120     1.267   83.690   82.560
LGA    N    39_A      N    39_A     1.899     0    0.601   0.581     3.528   77.143   64.583
LGA    R    40_A      R    40_A     2.774     0    0.082   1.207     3.971   59.167   64.892
LGA    E    41_A      E    41_A     1.407     0    0.048   0.616     1.751   83.810   79.630
LGA    A    42_A      A    42_A     0.512     0    0.046   0.054     0.820   90.476   92.381
LGA    F    43_A      F    43_A     0.742     0    0.078   0.120     1.317   90.476   87.186
LGA    P    44_A      P    44_A     0.562     0    0.046   0.358     1.758   90.476   87.959
LGA    A    45_A      A    45_A     0.319     0    0.064   0.091     0.582   97.619   98.095
LGA    H    46_A      H    46_A     0.263     0    0.006   1.029     5.772  100.000   69.429
LGA    K    47_A      K    47_A     0.301     0    0.008   0.162     1.213  100.000   95.820
LGA    V    48_A      V    48_A     0.267     0    0.046   0.960     2.097  100.000   89.728
LGA    V    49_A      V    49_A     0.424     0    0.013   0.033     0.674   97.619   97.279
LGA    L    50_A      L    50_A     0.524     0    0.027   0.141     1.532   95.238   87.321
LGA    A    51_A      A    51_A     0.293     0    0.090   0.095     0.885   97.619   98.095
LGA    A    52_A      A    52_A     0.557     0    0.139   0.152     1.026   90.595   90.571
LGA    C    53_A      C    53_A     1.057     0    0.110   0.123     1.554   88.214   84.524
LGA    S    54_A      S    54_A     0.988     0    0.061   0.744     2.875   90.476   84.921
LGA    D    55_A      D    55_A     1.166     0    0.040   0.079     2.171   85.952   79.464
LGA    Y    56_A      Y    56_A     0.679     0    0.023   0.137     1.397   95.238   88.294
LGA    F    57_A      F    57_A     0.548     0    0.005   0.089     1.797   92.857   84.069
LGA    R    58_A      R    58_A     0.783     0    0.027   1.082     7.435   88.214   58.442
LGA    A    59_A      A    59_A     1.024     0    0.024   0.027     1.317   83.690   85.048
LGA    M    60_A      M    60_A     1.069     0    0.063   0.206     1.811   81.548   82.619
LGA    F    61_A      F    61_A     1.561     0    0.086   0.237     2.380   72.976   75.238
LGA    T    62_A      T    62_A     2.251     0    0.174   1.169     5.067   70.833   64.014
LGA    G    63_A      G    63_A     1.682     0    0.573   0.573     3.346   69.286   69.286
LGA    G    64_A      G    64_A     1.698     0    0.635   0.635     4.772   57.262   57.262
LGA    M    65_A      M    65_A     6.654     0    0.666   1.495    13.808   25.595   13.155
LGA    R    66_A      R    66_A     3.363     0    0.118   1.378     8.156   54.762   45.065
LGA    E    67_A      E    67_A     2.096     0    0.077   0.739     3.350   69.048   60.847
LGA    A    68_A      A    68_A     1.844     0    0.056   0.055     2.455   72.857   71.238
LGA    S    69_A      S    69_A     1.399     0    0.153   0.642     3.519   77.143   70.794
LGA    Q    70_A      Q    70_A     0.620     0    0.041   0.639     2.989   97.619   80.370
LGA    D    71_A      D    71_A     0.758     0    0.075   0.448     2.680   90.476   80.774
LGA    V    72_A      V    72_A     1.012     0    0.028   0.074     1.453   83.690   82.721
LGA    I    73_A      I    73_A     1.305     0    0.034   0.072     1.832   81.429   78.214
LGA    E    74_A      E    74_A     1.035     0    0.149   0.704     3.575   79.286   75.450
LGA    L    75_A      L    75_A     1.277     0    0.131   0.156     1.683   77.143   81.548
LGA    K    76_A      K    76_A     1.813     0    0.658   0.757     3.650   65.476   67.989
LGA    G    77_A      G    77_A     1.643     0    0.047   0.047     1.643   77.143   77.143
LGA    V    78_A      V    78_A     1.452     0    0.062   1.134     2.822   83.690   74.490
LGA    S    79_A      S    79_A     1.362     0    0.119   0.501     2.169   83.690   81.667
LGA    A    80_A      A    80_A     1.188     0    0.051   0.060     1.460   83.690   83.238
LGA    R    81_A      R    81_A     0.944     0    0.023   1.015     6.296   90.476   69.177
LGA    G    82_A      G    82_A     0.352     0    0.086   0.086     0.553   95.238   95.238
LGA    L    83_A      L    83_A     0.461     0    0.029   0.124     0.889  100.000   95.238
LGA    R    84_A      R    84_A     0.398     0    0.031   1.164     6.237  100.000   66.320
LGA    H    85_A      H    85_A     0.534     0    0.033   0.306     1.232   92.857   89.619
LGA    I    86_A      I    86_A     0.561     0    0.033   0.617     1.352   95.238   90.595
LGA    I    87_A      I    87_A     0.331     0    0.027   0.070     0.924  100.000   97.619
LGA    D    88_A      D    88_A     0.401     0    0.040   0.137     0.736   97.619   95.238
LGA    F    89_A      F    89_A     0.362     0    0.044   0.221     0.513   97.619   99.134
LGA    A    90_A      A    90_A     0.371     0    0.012   0.020     0.720   95.238   96.190
LGA    Y    91_A      Y    91_A     0.521     0    0.104   0.166     0.897   92.857   96.032
LGA    S    92_A      S    92_A     0.715     0    0.019   0.057     0.988   90.476   90.476
LGA    A    93_A      A    93_A     0.905     0    0.017   0.019     1.152   90.476   88.667
LGA    E    94_A      E    94_A     0.799     0    0.024   0.156     1.767   90.476   84.550
LGA    V    95_A      V    95_A     0.827     0    0.018   0.053     1.019   90.476   89.184
LGA    T    96_A      T    96_A     0.723     0    0.023   0.040     1.089   90.476   87.891
LGA    L    97_A      L    97_A     0.908     0    0.049   0.109     1.942   90.476   83.810
LGA    D    98_A      D    98_A     0.926     0    0.090   0.233     1.331   90.476   88.214
LGA    L    99_A      L    99_A     1.392     0    0.059   1.378     4.075   79.286   72.679
LGA    D   100_A      D   100_A     1.074     0    0.055   0.907     3.835   85.952   71.131
LGA    C   101_A      C   101_A     0.719     0    0.029   0.074     0.789   90.476   90.476
LGA    V   102_A      V   102_A     0.675     0    0.034   1.004     2.964   90.476   83.197
LGA    Q   103_A      Q   103_A     0.591     0    0.048   0.260     1.458   95.238   90.582
LGA    D   104_A      D   104_A     0.402     0    0.018   0.121     0.653   97.619   96.429
LGA    V   105_A      V   105_A     0.397     0    0.024   0.071     0.620  100.000   97.279
LGA    L   106_A      L   106_A     0.398     0    0.048   0.115     0.422  100.000  100.000
LGA    G   107_A      G   107_A     0.301     0    0.070   0.070     0.347  100.000  100.000
LGA    A   108_A      A   108_A     0.267     0    0.034   0.034     0.303  100.000  100.000
LGA    A   109_A      A   109_A     0.322     0    0.025   0.025     0.440  100.000  100.000
LGA    V   110_A      V   110_A     0.518     0    0.019   0.033     0.610   92.857   94.558
LGA    F   111_A      F   111_A     0.620     0    0.021   0.451     1.638   92.857   85.628
LGA    L   112_A      L   112_A     0.352     0    0.053   0.071     0.788   97.619   95.238
LGA    Q   113_A      Q   113_A     0.393     0    0.043   0.105     0.913   95.238   95.767
LGA    M   114_A      M   114_A     0.486     0    0.040   0.682     2.200  100.000   92.083
LGA    L   115_A      L   115_A     0.368     0    0.051   1.440     4.183   97.619   78.512
LGA    P   116_A      P   116_A     0.228     0    0.023   0.317     0.863  100.000   98.639
LGA    V   117_A      V   117_A     0.207     0    0.020   0.066     0.333  100.000  100.000
LGA    V   118_A      V   118_A     0.316     0    0.025   0.045     0.403  100.000  100.000
LGA    E   119_A      E   119_A     0.506     0    0.029   0.424     1.594   95.238   89.630
LGA    L   120_A      L   120_A     0.447     0    0.014   0.129     0.611   97.619   98.810
LGA    C   121_A      C   121_A     0.394     0    0.021   0.059     0.530   95.238   96.825
LGA    E   122_A      E   122_A     0.709     0    0.021   0.184     1.188   90.476   89.471
LGA    E   123_A      E   123_A     1.010     0    0.011   0.969     5.700   85.952   61.587
LGA    F   124_A      F   124_A     0.777     0    0.044   0.356     1.266   90.476   88.831
LGA    L   125_A      L   125_A     0.627     0    0.025   0.110     0.679   90.476   90.476
LGA    K   126_A      K   126_A     0.921     0    0.026   1.067     5.571   88.214   67.302
LGA    A   127_A      A   127_A     0.918     0    0.014   0.015     0.936   90.476   90.476
LGA    A   128_A      A   128_A     0.930     0    0.048   0.056     1.065   85.952   86.857
LGA    M   129_A      M   129_A     1.345     0    0.071   1.265     6.527   79.286   66.310

# 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):     1.391          1.388                  2.050           86.702   82.008

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    123    1.12    90.400    95.372    10.042

LGA_LOCAL      RMSD:   1.125  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.398  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.391  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.051214 * X  +  -0.578907 * Y  +   0.813783 * Z  +  37.367771
  Y_new =   0.629095 * X  +  -0.614162 * Y  +  -0.476492 * Z  + -11.047034
  Z_new =   0.775639 * X  +   0.536350 * Y  +   0.332735 * Z  +  -6.444525 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.489567 -0.887727  1.015535   [DEG:   85.3459  -50.8630   58.1859 ]
ZXZ:  1.041087  1.231594  0.965801   [DEG:   59.6499   70.5652   55.3363 ]
 
# END of job
