
#######################################################
#                                                     #
#                        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       0.94     1.42
  LCS_AVERAGE:     47.13

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      7  125  125      4    7    7    9   14   36   50  118  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     33  125  125      5    8   24   55   77  117  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     55  125  125      5   59  107  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     56  125  125     13   66  103  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     56  125  125      5   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     56  125  125     25   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     56  125  125     25   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     56  125  125     25   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     56  125  125     25   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     56  125  125     21   75  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     56  125  125     22   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     56  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     56  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     56  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     56  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     56  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     56  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     56  125  125     26   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A     56  125  125      5   65  102  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     56  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     56  125  125     32   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A     56  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A     56  125  125     18   72  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A     56  125  125      8   52   92  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A     56  125  125      4    4   78   96  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A     56  125  125      8   69  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A     56  125  125     32   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A     56  125  125     30   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A     56  125  125     26   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A     56  125  125     21   81  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A     56  125  125     32   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A     56  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A     56  125  125     21   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     56  125  125     21   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A     56  125  125     21   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A     56  125  125     18   39  107  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     56  125  125     10   39   86  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A     56  125  125     15   50  101  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A     33  125  125     19   64  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A      4  125  125      3    4    5    7   11   38   47   91  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A     64  125  125      6   24   61   88  118  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A     64  125  125     18   57  100  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A     64  125  125     24   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A     64  125  125     27   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A     64  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A     64  125  125     34   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A     64  125  125     21   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A     64  125  125     14   77  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     64  125  125     18   81  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A     64  125  125     20   77  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A     64  125  125     14   61  101  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A     64  125  125     16   70  105  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A     64  125  125     13   57   94  118  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A     64  125  125     18   64  103  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     64  125  125     28   80  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     64  125  125     30   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A     64  125  125     32   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     64  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A     64  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A     64  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A     64  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A     64  125  125     35   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A     64  125  125     33   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A     64  125  125     15   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A     64  125  125     15   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A     64  125  125      4   76  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A     64  125  125     10   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A     64  125  125     28   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     64  125  125     30   79  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     64  125  125     36   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     64  125  125     30   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     64  125  125     30   82  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     64  125  125     30   84  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     64  125  125     29   83  108  119  121  122  122  123  123  124  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  82.38  (  47.13  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     36     84    108    119    121    122    122    123    123    124    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  28.80  67.20  86.40  95.20  96.80  97.60  97.60  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.65   0.83   1.00   1.04   1.07   1.07   1.15   1.15   1.27   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39
GDT RMS_ALL_AT   1.42   1.43   1.43   1.41   1.40   1.41   1.41   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:  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     6.387     0    0.134   0.166     7.338   15.476   16.488
LGA    K     6_A      K     6_A     4.444     0    0.080   1.222     5.674   51.786   35.979
LGA    C     7_A      C     7_A     1.498     0    0.045   0.161     3.174   67.143   63.889
LGA    T     8_A      T     8_A     2.034     0    0.028   0.055     4.541   75.119   58.912
LGA    F     9_A      F     9_A     1.084     0    0.029   0.108     4.890   81.548   57.100
LGA    S    10_A      S    10_A     1.344     0    0.027   0.059     3.026   77.262   70.635
LGA    A    11_A      A    11_A     1.191     0    0.148   0.160     1.676   79.286   81.524
LGA    P    12_A      P    12_A     1.447     0    0.039   0.286     1.740   81.429   81.497
LGA    S    13_A      S    13_A     1.413     0    0.013   0.042     1.502   81.429   80.000
LGA    H    14_A      H    14_A     0.973     0    0.040   0.084     1.581   85.952   81.524
LGA    S    15_A      S    15_A     1.311     0    0.033   0.658     1.677   81.429   80.000
LGA    T    16_A      T    16_A     1.435     0    0.034   0.033     1.925   81.429   77.755
LGA    S    17_A      S    17_A     0.978     0    0.044   0.045     1.094   88.214   88.968
LGA    L    18_A      L    18_A     0.741     0    0.033   0.254     1.560   90.476   87.143
LGA    L    19_A      L    19_A     1.112     0    0.030   1.386     3.005   83.690   76.548
LGA    Q    20_A      Q    20_A     1.174     0    0.013   0.725     2.293   81.429   80.582
LGA    G    21_A      G    21_A     0.891     0    0.072   0.072     0.973   90.476   90.476
LGA    L    22_A      L    22_A     0.788     0    0.008   0.065     0.850   90.476   90.476
LGA    A    23_A      A    23_A     0.887     0    0.012   0.017     0.951   90.476   90.476
LGA    T    24_A      T    24_A     1.010     0    0.088   1.141     3.566   85.952   77.347
LGA    L    25_A      L    25_A     0.864     0    0.021   0.109     0.990   90.476   90.476
LGA    R    26_A      R    26_A     0.802     0    0.034   0.270     1.055   88.214   91.385
LGA    A    27_A      A    27_A     1.075     0    0.031   0.038     1.260   83.690   83.238
LGA    Q    28_A      Q    28_A     1.051     0    0.017   0.934     3.352   81.429   81.005
LGA    G    29_A      G    29_A     1.215     0    0.007   0.007     1.215   81.429   81.429
LGA    Q    30_A      Q    30_A     1.008     0    0.525   0.831     3.623   75.357   69.947
LGA    L    31_A      L    31_A     1.807     0    0.298   1.380     5.561   68.929   57.917
LGA    L    32_A      L    32_A     0.728     0    0.024   0.123     1.131   85.952   88.214
LGA    D    33_A      D    33_A     0.305     0    0.022   0.089     0.433  100.000  100.000
LGA    V    34_A      V    34_A     0.266     0    0.015   0.069     0.584   97.619   97.279
LGA    V    35_A      V    35_A     0.436     0    0.045   0.051     0.740   95.238   95.918
LGA    L    36_A      L    36_A     0.836     0    0.027   0.123     1.105   90.476   87.083
LGA    T    37_A      T    37_A     0.772     0    0.067   1.125     2.811   90.476   82.041
LGA    I    38_A      I    38_A     1.379     0    0.055   0.503     2.565   79.286   76.250
LGA    N    39_A      N    39_A     2.107     0    0.610   0.592     3.691   72.976   60.714
LGA    R    40_A      R    40_A     2.852     0    0.109   1.203     3.876   59.167   64.026
LGA    E    41_A      E    41_A     1.652     0    0.019   0.097     2.230   77.143   72.063
LGA    A    42_A      A    42_A     0.714     0    0.029   0.037     0.979   90.476   92.381
LGA    F    43_A      F    43_A     0.929     0    0.061   0.116     1.802   90.476   81.602
LGA    P    44_A      P    44_A     0.558     0    0.046   0.351     1.514   92.857   89.320
LGA    A    45_A      A    45_A     0.293     0    0.056   0.078     0.527  100.000   98.095
LGA    H    46_A      H    46_A     0.199     0    0.010   1.041     5.663  100.000   70.571
LGA    K    47_A      K    47_A     0.306     0    0.009   0.084     0.820  100.000   96.825
LGA    V    48_A      V    48_A     0.239     0    0.050   0.959     2.162  100.000   89.728
LGA    V    49_A      V    49_A     0.390     0    0.022   0.054     0.618   97.619   95.918
LGA    L    50_A      L    50_A     0.484     0    0.030   0.141     1.625  100.000   89.702
LGA    A    51_A      A    51_A     0.187     0    0.092   0.097     0.795   97.619   98.095
LGA    A    52_A      A    52_A     0.492     0    0.140   0.152     1.030   92.976   92.476
LGA    C    53_A      C    53_A     0.992     0    0.112   0.123     1.531   90.476   86.032
LGA    S    54_A      S    54_A     0.933     0    0.060   0.743     2.777   90.476   84.921
LGA    D    55_A      D    55_A     1.077     0    0.038   0.079     2.022   85.952   79.464
LGA    Y    56_A      Y    56_A     0.647     0    0.024   0.108     1.573   95.238   86.071
LGA    F    57_A      F    57_A     0.657     0    0.008   0.089     2.097   92.857   82.554
LGA    R    58_A      R    58_A     0.806     0    0.016   1.082     7.465   88.214   58.658
LGA    A    59_A      A    59_A     0.904     0    0.034   0.037     1.220   88.214   88.667
LGA    M    60_A      M    60_A     1.108     0    0.046   0.206     1.858   81.548   80.417
LGA    F    61_A      F    61_A     1.638     0    0.065   0.242     2.245   72.976   73.723
LGA    T    62_A      T    62_A     2.163     0    0.181   1.155     4.743   70.833   64.762
LGA    G    63_A      G    63_A     1.750     0    0.568   0.568     3.542   65.476   65.476
LGA    G    64_A      G    64_A     1.843     0    0.611   0.611     4.483   60.357   60.357
LGA    M    65_A      M    65_A     6.391     0    0.656   1.357    11.560   30.833   15.774
LGA    R    66_A      R    66_A     3.215     0    0.063   1.014     9.869   56.905   36.407
LGA    E    67_A      E    67_A     2.052     0    0.086   0.827     4.428   73.452   60.688
LGA    A    68_A      A    68_A     1.056     0    0.025   0.030     1.762   81.429   79.714
LGA    S    69_A      S    69_A     1.086     0    0.031   0.589     3.440   85.952   79.206
LGA    Q    70_A      Q    70_A     0.460     0    0.048   0.931     3.130  100.000   83.545
LGA    D    71_A      D    71_A     0.711     0    0.166   0.986     5.355   90.476   68.750
LGA    V    72_A      V    72_A     0.823     0    0.037   0.069     1.369   85.952   84.014
LGA    I    73_A      I    73_A     1.173     0    0.035   0.089     1.663   81.429   80.357
LGA    E    74_A      E    74_A     1.116     0    0.009   0.090     1.377   81.429   81.429
LGA    L    75_A      L    75_A     1.273     0    0.051   0.147     1.531   77.143   82.679
LGA    K    76_A      K    76_A     1.928     0    0.071   0.118     2.304   72.857   68.360
LGA    G    77_A      G    77_A     1.688     0    0.048   0.048     1.790   72.857   72.857
LGA    V    78_A      V    78_A     2.097     0    0.020   0.084     2.889   72.976   68.367
LGA    S    79_A      S    79_A     1.830     0    0.098   0.506     2.725   77.143   74.524
LGA    A    80_A      A    80_A     1.172     0    0.055   0.065     1.500   83.690   83.238
LGA    R    81_A      R    81_A     0.983     0    0.014   1.017     6.291   88.214   68.355
LGA    G    82_A      G    82_A     0.567     0    0.084   0.084     0.696   90.476   90.476
LGA    L    83_A      L    83_A     0.583     0    0.036   1.363     3.869   95.238   77.738
LGA    R    84_A      R    84_A     0.343     0    0.024   0.731     3.296  100.000   74.675
LGA    H    85_A      H    85_A     0.457     0    0.027   0.308     1.227  100.000   92.476
LGA    I    86_A      I    86_A     0.445     0    0.031   0.157     0.676  100.000   97.619
LGA    I    87_A      I    87_A     0.216     0    0.059   0.092     1.061  100.000   95.298
LGA    D    88_A      D    88_A     0.279     0    0.022   0.141     0.607   97.619   97.619
LGA    F    89_A      F    89_A     0.333     0    0.043   0.221     0.545   97.619   99.134
LGA    A    90_A      A    90_A     0.447     0    0.022   0.028     0.837   95.238   96.190
LGA    Y    91_A      Y    91_A     0.617     0    0.083   0.186     1.503   90.476   86.746
LGA    S    92_A      S    92_A     0.759     0    0.018   0.059     0.971   90.476   90.476
LGA    A    93_A      A    93_A     0.956     0    0.020   0.022     1.181   90.476   88.667
LGA    E    94_A      E    94_A     0.777     0    0.024   0.155     1.599   90.476   85.503
LGA    V    95_A      V    95_A     0.802     0    0.016   0.052     0.993   90.476   90.476
LGA    T    96_A      T    96_A     0.685     0    0.021   0.040     1.073   90.476   89.184
LGA    L    97_A      L    97_A     0.870     0    0.051   0.112     1.953   90.476   83.810
LGA    D    98_A      D    98_A     0.860     0    0.089   0.233     1.295   90.476   88.214
LGA    L    99_A      L    99_A     1.404     0    0.059   1.378     4.140   79.286   72.679
LGA    D   100_A      D   100_A     1.105     0    0.055   0.905     3.907   85.952   71.131
LGA    C   101_A      C   101_A     0.710     0    0.025   0.069     0.797   90.476   90.476
LGA    V   102_A      V   102_A     0.692     0    0.033   1.004     3.005   90.476   82.177
LGA    Q   103_A      Q   103_A     0.628     0    0.049   0.269     1.599   95.238   87.619
LGA    D   104_A      D   104_A     0.354     0    0.017   0.090     0.608   97.619   96.429
LGA    V   105_A      V   105_A     0.387     0    0.024   0.070     0.552  100.000   98.639
LGA    L   106_A      L   106_A     0.472     0    0.047   0.126     0.545   97.619   97.619
LGA    G   107_A      G   107_A     0.559     0    0.071   0.071     0.605   92.857   92.857
LGA    A   108_A      A   108_A     0.552     0    0.038   0.044     0.592   90.476   90.476
LGA    A   109_A      A   109_A     0.395     0    0.026   0.028     0.511   97.619   98.095
LGA    V   110_A      V   110_A     0.617     0    0.023   0.038     0.729   90.476   90.476
LGA    F   111_A      F   111_A     0.847     0    0.032   0.647     2.871   90.476   74.286
LGA    L   112_A      L   112_A     0.547     0    0.043   0.102     1.775   92.857   87.202
LGA    Q   113_A      Q   113_A     0.435     0    0.038   0.099     1.008   92.976   94.762
LGA    M   114_A      M   114_A     0.584     0    0.043   0.675     2.095   95.238   88.512
LGA    L   115_A      L   115_A     0.453     0    0.050   1.439     4.213   97.619   78.512
LGA    P   116_A      P   116_A     0.335     0    0.025   0.317     0.821  100.000   98.639
LGA    V   117_A      V   117_A     0.306     0    0.024   0.065     0.381  100.000  100.000
LGA    V   118_A      V   118_A     0.385     0    0.029   0.045     0.471  100.000  100.000
LGA    E   119_A      E   119_A     0.563     0    0.029   0.425     1.619   92.857   88.571
LGA    L   120_A      L   120_A     0.502     0    0.015   0.128     0.670   92.857   96.429
LGA    C   121_A      C   121_A     0.460     0    0.022   0.059     0.609   95.238   95.238
LGA    E   122_A      E   122_A     0.793     0    0.020   0.185     1.237   90.476   89.471
LGA    E   123_A      E   123_A     1.098     0    0.011   0.967     5.747   83.690   60.582
LGA    F   124_A      F   124_A     0.873     0    0.044   0.352     1.267   90.476   88.831
LGA    L   125_A      L   125_A     0.732     0    0.029   0.110     0.810   90.476   90.476
LGA    K   126_A      K   126_A     1.102     0    0.014   1.054     5.738   83.690   63.810
LGA    A   127_A      A   127_A     1.144     0    0.023   0.026     1.225   81.429   81.429
LGA    A   128_A      A   128_A     1.036     0    0.027   0.031     1.100   83.690   83.238
LGA    M   129_A      M   129_A     1.267     0    0.149   1.312     6.287   79.286   67.560

# 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):     1.389          1.362                  1.985           86.217   81.287

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    123    1.15    90.200    95.368     9.866

LGA_LOCAL      RMSD:   1.147  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.395  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.389  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.010780 * X  +  -0.214176 * Y  +  -0.976736 * Z  +  36.284592
  Y_new =  -0.496643 * X  +   0.846649 * Y  +  -0.191132 * Z  +  -5.542255
  Z_new =   0.867888 * X  +   0.487149 * Y  +  -0.097242 * Z  +  -5.229294 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.549094 -1.050935  1.767822   [DEG:  -88.7566  -60.2141  101.2887 ]
ZXZ: -1.377554  1.668193  1.059316   [DEG:  -78.9280   95.5804   60.6943 ]
 
# END of job
