
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       2.15     2.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   108      10_A - 117_A       1.99     2.16
  LONGEST_CONTINUOUS_SEGMENT:   108      11_A - 118_A       1.97     2.17
  LONGEST_CONTINUOUS_SEGMENT:   108      12_A - 119_A       1.98     2.18
  LCS_AVERAGE:     95.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       7_A - 71_A        0.98     4.33
  LONGEST_CONTINUOUS_SEGMENT:    65       8_A - 72_A        1.00     4.13
  LONGEST_CONTINUOUS_SEGMENT:    65      15_A - 79_A        1.00     3.35
  LCS_AVERAGE:     54.81

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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     E     7_A     E     7_A     65  102  113     17   38   57   70   81   88  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     65  103  113     27   48   67   78   87  101  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     65  103  113     14   39   57   69   81   85   94  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     65  108  113     27   48   63   76   82   91  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     65  108  113     28   48   67   78   87  101  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     65  108  113     28   48   67   78   87  101  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     65  108  113     24   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     65  108  113     27   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     65  108  113     27   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     65  108  113      5   43   67   79   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     65  108  113      5   31   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     65  108  113      4   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     65  108  113     27   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     65  108  113     28   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     65  108  113     30   48   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     65  108  113     31   49   65   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     65  108  113     21   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     65  108  113     20   48   68   79   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     65  108  113     20   48   68   79   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     65  108  113     29   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     65  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     64  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     62  108  113     31   49   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     58  108  113     21   49   67   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     57  108  113     25   49   67   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     57  108  113     21   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     57  108  113     24   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     57  108  113     24   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     57  108  113     18   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     57  108  113      4   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     57  108  113      4   33   64   74   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     57  108  113     24   49   64   74   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     57  108  113     24   49   64   74   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     57  108  113     24   42   63   71   88  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     57  108  113     19   34   56   71   77   96  106  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     57  108  113     15   31   57   71   77   96  106  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     57  108  113     24   44   64   72   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     57  108  113     24   46   64   72   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     57  108  113     24   49   64   76   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     57  108  113     24   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     57  108  113     24   44   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     56  108  113     24   34   67   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     55  108  113     17   33   44   68   86   99  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     55  108  113     24   40   68   79   89  102  106  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     55  108  113     22   43   68   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     55  108  113     29   49   67   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     55  108  113     28   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     55  108  113     24   49   64   80   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     55  108  113     24   49   64   76   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     55  108  113     24   49   64   74   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     55  108  113     21   43   64   72   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     55  108  113     21   30   56   71   80  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     55  108  113     21   36   63   71   83  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     55  108  113     24   43   64   72   89  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     55  108  113     24   49   64   74   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     55  108  113     24   44   64   72   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     55  108  113     24   44   64   73   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     55  108  113     24   44   64   72   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     55  108  113     24   44   64   72   94  102  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     55  108  113     24   36   57   71   80   99  107  111  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     55  108  113     15   31   37   55   69   79   85  105  110  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  83.42  (  54.81   95.45  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     31     49     68     80     94    102    107    111    111    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  27.43  43.36  60.18  70.80  83.19  90.27  94.69  98.23  98.23 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.66   0.99   1.35   1.65   1.81   1.97   2.08   2.06   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15
GDT RMS_ALL_AT   3.05   3.56   3.29   2.49   2.22   2.18   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.15

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.086     0    0.076   0.923     5.205   38.690   40.212
LGA    C     8_A      C     8_A     3.080     0    0.058   0.062     3.621   46.667   51.429
LGA    A     9_A      A     9_A     4.707     0    0.055   0.065     5.451   32.857   31.524
LGA    S    10_A      S    10_A     4.104     0    0.045   0.190     4.246   41.905   41.349
LGA    N    11_A      N    11_A     3.357     0    0.012   1.025     3.656   48.333   48.393
LGA    P    12_A      P    12_A     3.089     0    0.049   0.079     3.089   53.571   54.082
LGA    C    13_A      C    13_A     1.948     0    0.047   0.043     2.414   66.786   68.810
LGA    L    14_A      L    14_A     2.094     0    0.007   0.122     3.016   70.833   65.952
LGA    N    15_A      N    15_A     2.027     0    0.038   0.108     2.309   68.810   69.821
LGA    Q    16_A      Q    16_A     1.946     0    0.037   1.216     5.876   72.857   59.683
LGA    G    17_A      G    17_A     1.827     0    0.093   0.093     2.072   70.833   70.833
LGA    T    18_A      T    18_A     1.357     0    0.093   1.136     3.216   83.690   74.762
LGA    C    19_A      C    19_A     1.514     0    0.064   0.073     1.918   77.143   75.714
LGA    I    20_A      I    20_A     0.900     0    0.035   0.517     1.461   85.952   87.083
LGA    D    21_A      D    21_A     1.285     0    0.029   0.807     4.692   81.429   68.214
LGA    D    22_A      D    22_A     1.493     0    0.032   0.848     3.863   77.143   67.560
LGA    V    23_A      V    23_A     2.168     0    0.133   0.142     2.874   64.881   63.741
LGA    A    24_A      A    24_A     1.551     0    0.539   0.530     3.553   65.595   63.905
LGA    G    25_A      G    25_A     1.790     0    0.098   0.098     1.790   79.286   79.286
LGA    Y    26_A      Y    26_A     2.032     0    0.022   0.138     3.406   66.786   60.516
LGA    K    27_A      K    27_A     1.479     0    0.063   0.166     2.878   81.548   72.381
LGA    C    28_A      C    28_A     0.791     0    0.029   0.038     1.390   92.857   90.556
LGA    N    29_A      N    29_A     0.484     0    0.035   1.358     4.459   92.976   74.226
LGA    C    30_A      C    30_A     0.561     0    0.092   0.116     1.010   88.214   90.556
LGA    L    31_A      L    31_A     1.471     0    0.099   0.276     2.039   81.429   77.202
LGA    L    32_A      L    32_A     2.114     0    0.025   0.089     3.567   64.881   59.286
LGA    P    33_A      P    33_A     1.598     0    0.114   0.151     2.034   77.143   74.150
LGA    Y    34_A      Y    34_A     0.324     0    0.033   0.068     1.695   97.619   88.373
LGA    T    35_A      T    35_A     0.571     0    0.050   0.082     0.868   92.857   91.837
LGA    G    36_A      G    36_A     1.058     0    0.013   0.013     1.376   83.690   83.690
LGA    A    37_A      A    37_A     1.738     0    0.068   0.065     2.202   75.000   72.952
LGA    T    38_A      T    38_A     1.526     0    0.036   0.089     2.358   77.143   74.150
LGA    C    39_A      C    39_A     0.800     0    0.023   0.056     0.999   90.476   90.476
LGA    E    40_A      E    40_A     1.335     0    0.066   0.237     2.035   85.952   77.778
LGA    V    41_A      V    41_A     0.592     0    0.062   0.070     1.189   95.238   91.905
LGA    V    42_A      V    42_A     0.625     0    0.028   1.088     2.721   92.857   84.558
LGA    L    43_A      L    43_A     1.403     0    0.056   0.054     1.601   77.143   76.071
LGA    A    44_A      A    44_A     1.710     0    0.041   0.047     1.939   72.857   72.857
LGA    P    45_A      P    45_A     1.765     0    0.068   0.076     1.861   72.857   72.857
LGA    C    46_A      C    46_A     2.053     0    0.048   0.050     2.118   66.786   66.111
LGA    A    47_A      A    47_A     2.218     0    0.028   0.031     2.403   64.762   64.762
LGA    P    48_A      P    48_A     2.027     0    0.007   0.039     2.091   68.810   67.075
LGA    S    49_A      S    49_A     2.002     0    0.043   0.080     2.193   66.786   67.460
LGA    P    50_A      P    50_A     1.993     0    0.090   0.114     2.085   68.810   69.388
LGA    C    51_A      C    51_A     2.249     0    0.123   0.151     2.790   62.857   63.492
LGA    R    52_A      R    52_A     1.983     0    0.023   0.588     2.223   68.810   70.779
LGA    N    53_A      N    53_A     1.947     0    0.050   0.166     2.020   72.857   71.845
LGA    G    54_A      G    54_A     2.038     0    0.041   0.041     2.038   64.762   64.762
LGA    G    55_A      G    55_A     1.914     0    0.047   0.047     2.054   68.810   68.810
LGA    E    56_A      E    56_A     2.114     0    0.011   1.129     6.287   66.786   49.630
LGA    C    57_A      C    57_A     2.082     0    0.038   0.040     2.120   64.762   64.762
LGA    R    58_A      R    58_A     1.986     0    0.049   1.270     6.031   70.833   59.048
LGA    Q    59_A      Q    59_A     1.847     0    0.020   0.686     4.144   72.857   59.048
LGA    S    60_A      S    60_A     2.355     0    0.017   0.121     2.466   64.762   64.762
LGA    E    61_A      E    61_A     2.694     0    0.021   0.954     5.957   57.143   46.878
LGA    D    62_A      D    62_A     2.421     0    0.040   0.355     2.953   62.857   61.905
LGA    Y    63_A      Y    63_A     2.310     0    0.061   0.186     2.514   64.762   64.127
LGA    E    64_A      E    64_A     2.295     0    0.027   0.947     4.121   64.762   60.000
LGA    S    65_A      S    65_A     2.391     0    0.051   0.093     2.756   64.762   62.222
LGA    F    66_A      F    66_A     2.176     0    0.023   0.097     2.256   64.762   64.762
LGA    S    67_A      S    67_A     1.940     0    0.046   0.071     2.128   70.833   71.508
LGA    C    68_A      C    68_A     1.738     0    0.026   0.039     1.874   72.857   72.857
LGA    V    69_A      V    69_A     1.604     0    0.021   0.047     1.731   72.857   72.857
LGA    C    70_A      C    70_A     1.558     0    0.032   0.038     1.617   72.857   72.857
LGA    P    71_A      P    71_A     1.574     0    0.008   0.060     1.636   72.857   72.857
LGA    T    72_A      T    72_A     1.389     0    0.018   0.037     1.593   77.143   77.755
LGA    G    73_A      G    73_A     1.224     0    0.023   0.023     1.343   81.429   81.429
LGA    W    74_A      W    74_A     1.534     0    0.047   0.074     1.893   79.286   74.694
LGA    Q    75_A      Q    75_A     1.361     0    0.033   0.197     1.518   79.286   80.529
LGA    G    76_A      G    76_A     1.495     0    0.035   0.035     1.710   77.143   77.143
LGA    Q    77_A      Q    77_A     1.690     0    0.027   0.656     3.178   72.857   69.471
LGA    T    78_A      T    78_A     1.800     0    0.013   0.078     1.888   72.857   72.857
LGA    C    79_A      C    79_A     1.853     0    0.020   0.054     1.943   72.857   72.857
LGA    E    80_A      E    80_A     1.875     0    0.067   0.924     6.105   72.857   54.815
LGA    V    81_A      V    81_A     1.652     0    0.052   0.053     1.710   72.857   72.857
LGA    D    82_A      D    82_A     1.860     0    0.055   0.108     2.315   75.000   69.881
LGA    I    83_A      I    83_A     1.163     0    0.056   0.055     1.443   81.429   83.690
LGA    N    84_A      N    84_A     1.058     0    0.035   0.095     1.748   85.952   82.619
LGA    E    85_A      E    85_A     0.491     0    0.033   0.070     0.840   92.857   92.593
LGA    C    86_A      C    86_A     0.949     0    0.071   0.080     1.109   90.476   87.460
LGA    V    87_A      V    87_A     1.060     0    0.032   0.040     1.312   81.429   81.429
LGA    L    88_A      L    88_A     0.984     0    0.467   0.353     3.958   81.786   67.083
LGA    S    89_A      S    89_A     1.831     0    0.363   0.734     5.011   72.976   62.540
LGA    P    90_A      P    90_A     1.835     0    0.128   0.195     2.105   70.833   70.544
LGA    C    91_A      C    91_A     1.899     0    0.035   0.056     2.383   68.810   71.587
LGA    R    92_A      R    92_A     3.152     0    0.020   1.372     4.494   51.786   53.030
LGA    H    93_A      H    93_A     4.249     0    0.065   0.107     4.872   38.690   35.476
LGA    G    94_A      G    94_A     4.075     0    0.094   0.094     4.075   40.238   40.238
LGA    A    95_A      A    95_A     2.708     0    0.027   0.033     3.148   55.357   57.238
LGA    S    96_A      S    96_A     2.383     0    0.067   0.100     2.533   66.786   64.841
LGA    C    97_A      C    97_A     1.317     0    0.020   0.042     1.718   77.143   80.079
LGA    Q    98_A      Q    98_A     1.471     0    0.011   0.097     2.268   81.429   76.720
LGA    N    99_A      N    99_A     1.766     0    0.060   0.245     3.132   68.810   65.952
LGA    T   100_A      T   100_A     2.608     0    0.015   0.081     2.876   59.048   60.408
LGA    H   101_A      H   101_A     3.714     0    0.026   1.154     7.427   45.000   34.476
LGA    G   102_A      G   102_A     3.156     0    0.116   0.116     3.204   53.571   53.571
LGA    G   103_A      G   103_A     2.240     0    0.039   0.039     2.490   70.952   70.952
LGA    Y   104_A      Y   104_A     1.033     0    0.045   0.117     1.717   81.548   83.770
LGA    R   105_A      R   105_A     0.684     0    0.035   1.149     5.239   92.857   71.948
LGA    C   106_A      C   106_A     0.805     0    0.053   0.100     1.210   88.333   86.032
LGA    H   107_A      H   107_A     1.346     0    0.061   1.105     2.601   77.143   73.905
LGA    C   108_A      C   108_A     1.688     0    0.000   0.058     1.980   75.000   75.714
LGA    Q   109_A      Q   109_A     2.601     0    0.019   0.681     5.751   59.048   48.942
LGA    A   110_A      A   110_A     3.091     0    0.025   0.026     3.711   48.333   47.333
LGA    G   111_A      G   111_A     3.060     0    0.140   0.140     3.060   53.571   53.571
LGA    Y   112_A      Y   112_A     2.838     0    0.041   0.097     5.698   62.976   44.762
LGA    S   113_A      S   113_A     1.984     0    0.023   0.088     2.616   64.881   63.571
LGA    G   114_A      G   114_A     2.420     0    0.023   0.023     2.420   68.929   68.929
LGA    R   115_A      R   115_A     2.075     0    0.013   0.705     4.890   70.952   61.299
LGA    N   116_A      N   116_A     2.230     0    0.009   0.173     2.867   62.857   63.869
LGA    C   117_A      C   117_A     2.530     0    0.025   0.049     3.183   57.262   61.111
LGA    E   118_A      E   118_A     3.613     0    0.069   0.138     4.345   41.905   45.714
LGA    T   119_A      T   119_A     5.047     0    0.140   0.989     5.372   34.524   30.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.146          2.138                  2.431           70.365   67.536

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    111    2.08    78.097    87.187     5.083

LGA_LOCAL      RMSD:   2.084  Number of atoms:  111  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.148  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.146  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.791704 * X  +   0.468854 * Y  +   0.391639 * Z  +   6.320032
  Y_new =   0.249410 * X  +   0.833285 * Y  +  -0.493387 * Z  +  18.644773
  Z_new =  -0.557673 * X  +  -0.292938 * Y  +  -0.776652 * Z  +  22.774229 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.836405  0.591580 -2.780912   [DEG:  162.5140   33.8950 -159.3345 ]
ZXZ:  0.670934  2.460129 -2.054467   [DEG:   38.4417  140.9550 -117.7123 ]
 
# END of job
