
#######################################################
#                                                     #
#                        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       1.84     1.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.84     1.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      41_A - 114_A       0.99     2.02
  LCS_AVERAGE:     54.03

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     L     5_A     L     5_A      3  125  125      0    3    3    3    3    3    4    4    4    5   49   56   62  116  120  122  125  125  125  125 
LCS_GDT     K     6_A     K     6_A      3  125  125      0   11   16   19   28   37   43   70   94  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     47  125  125      3   42   84  114  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     56  125  125      7   49   96  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     56  125  125     14   57  100  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     56  125  125     18   66  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     65  125  125     24   74  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     65  125  125     24   71  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     65  125  125     24   71  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     65  125  125     26   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     65  125  125     18   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     65  125  125     25   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     65  125  125     23   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     65  125  125     24   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     65  125  125     24   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     65  125  125     24   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     65  125  125     24   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     65  125  125     24   73  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A     65  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    31_A     L    31_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D    33_A     D    33_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    35_A     V    35_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     65  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     T    37_A     T    37_A     65  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     I    38_A     I    38_A     65  125  125      3   49   95  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     N    39_A     N    39_A     65  125  125      3   11   34  100  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     R    40_A     R    40_A     65  125  125      3   25   55  109  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E    41_A     E    41_A     74  125  125     27   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    42_A     A    42_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F    43_A     F    43_A     74  125  125     25   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     P    44_A     P    44_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     H    46_A     H    46_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     K    47_A     K    47_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    49_A     V    49_A     74  125  125     33   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    50_A     L    50_A     74  125  125     27   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    51_A     A    51_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    52_A     A    52_A     74  125  125     23   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     C    53_A     C    53_A     74  125  125     16   42   97  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    54_A     S    54_A     74  125  125     16   42  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D    55_A     D    55_A     74  125  125     16   35   92  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A     74  125  125     16   60  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F    57_A     F    57_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     R    58_A     R    58_A     74  125  125     27   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     74  125  125     27   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     M    60_A     M    60_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F    61_A     F    61_A     74  125  125     27   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     74  125  125     16   69  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G    63_A     G    63_A     74  125  125      5   74  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G    64_A     G    64_A     74  125  125     10   51  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     M    65_A     M    65_A     74  125  125      5   46  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     R    66_A     R    66_A     74  125  125      5   30  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E    67_A     E    67_A     74  125  125     25   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    68_A     A    68_A     74  125  125     16   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    69_A     S    69_A     74  125  125      4   56  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A     74  125  125     21   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D    71_A     D    71_A     74  125  125     31   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    72_A     V    72_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     I    73_A     I    73_A     74  125  125      9   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     74  125  125     15   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    75_A     L    75_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     K    76_A     K    76_A     74  125  125      9   49   89  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G    77_A     G    77_A     74  125  125      3    9   75  107  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    78_A     V    78_A     74  125  125      4   35   79  112  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    79_A     S    79_A     74  125  125     11   54   91  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     74  125  125     15   69   96  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     74  125  125     10   73   96  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G    82_A     G    82_A     74  125  125     13   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     74  125  125     16   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     R    84_A     R    84_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     H    85_A     H    85_A     74  125  125     28   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     I    86_A     I    86_A     74  125  125     15   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     I    87_A     I    87_A     74  125  125     28   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D    88_A     D    88_A     74  125  125     28   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F    89_A     F    89_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    90_A     A    90_A     74  125  125     31   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     S    92_A     S    92_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A    93_A     A    93_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E    94_A     E    94_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V    95_A     V    95_A     74  125  125     23   71  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     T    96_A     T    96_A     74  125  125      6   74  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    97_A     L    97_A     74  125  125     11   64  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D    98_A     D    98_A     74  125  125      6   74  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L    99_A     L    99_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D   100_A     D   100_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     C   101_A     C   101_A     74  125  125     30   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V   102_A     V   102_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     D   104_A     D   104_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V   105_A     V   105_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     G   107_A     G   107_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A   108_A     A   108_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     74  125  125     29   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F   111_A     F   111_A     74  125  125     24   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L   112_A     L   112_A     74  125  125     34   75  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A     74  125  125     27   73  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     M   114_A     M   114_A     74  125  125     12   49  101  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L   115_A     L   115_A     53  125  125     16   49   93  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     P   116_A     P   116_A     53  125  125     17   49   89  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V   117_A     V   117_A     53  125  125     17   61  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     V   118_A     V   118_A     53  125  125     19   67  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E   119_A     E   119_A     53  125  125     17   49   90  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     53  125  125     17   49   90  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     C   121_A     C   121_A     53  125  125     17   67  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E   122_A     E   122_A     53  125  125     17   60  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     53  125  125     17   49   88  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     F   124_A     F   124_A     53  125  125     17   61  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     53  125  125     17   66  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     53  125  125     17   55  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     53  125  125     15   61  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     53  125  125     16   66  102  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     53  125  125      3   48  101  116  120  123  123  123  123  124  124  124  124  124  124  124  125  125  125  125 
LCS_AVERAGE  LCS_A:  84.68  (  54.03  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     34     75    102    116    120    123    123    123    123    124    124    124    124    124    124    124    125    125    125    125 
GDT PERCENT_AT  27.20  60.00  81.60  92.80  96.00  98.40  98.40  98.40  98.40  99.20  99.20  99.20  99.20  99.20  99.20  99.20 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.64   0.94   1.10   1.16   1.23   1.23   1.23   1.23   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.84   1.84   1.84   1.84
GDT RMS_ALL_AT   2.09   2.05   1.92   1.89   1.90   1.88   1.88   1.88   1.88   1.85   1.85   1.85   1.85   1.85   1.85   1.85   1.84   1.84   1.84   1.84

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_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    13.234     0    0.543   1.440    15.427    0.000    0.000
LGA    K     6_A      K     6_A     9.043     0    0.662   1.116    19.062   10.000    4.444
LGA    C     7_A      C     7_A     3.069     0    0.600   0.755     5.617   50.238   47.937
LGA    T     8_A      T     8_A     2.287     0    0.124   1.072     3.839   62.857   61.769
LGA    F     9_A      F     9_A     1.962     0    0.067   0.139     2.781   72.857   66.364
LGA    S    10_A      S    10_A     1.593     0    0.105   0.608     2.424   75.000   72.937
LGA    A    11_A      A    11_A     1.014     0    0.013   0.026     1.165   81.429   83.238
LGA    P    12_A      P    12_A     1.401     0    0.031   0.099     2.047   81.429   75.442
LGA    S    13_A      S    13_A     1.249     0    0.021   0.097     1.413   81.429   81.429
LGA    H    14_A      H    14_A     0.836     0    0.028   0.156     1.327   88.214   86.857
LGA    S    15_A      S    15_A     0.913     0    0.033   0.661     2.973   88.214   83.413
LGA    T    16_A      T    16_A     1.033     0    0.031   0.032     1.172   83.690   82.721
LGA    S    17_A      S    17_A     1.004     0    0.030   0.627     2.594   81.429   77.381
LGA    L    18_A      L    18_A     1.033     0    0.032   0.227     1.266   81.429   82.560
LGA    L    19_A      L    19_A     1.210     0    0.028   0.079     1.749   81.429   78.214
LGA    Q    20_A      Q    20_A     1.013     0    0.019   0.680     3.288   85.952   76.296
LGA    G    21_A      G    21_A     0.933     0    0.035   0.035     1.135   85.952   85.952
LGA    L    22_A      L    22_A     1.173     0    0.025   0.095     1.579   81.429   79.286
LGA    A    23_A      A    23_A     1.200     0    0.012   0.016     1.200   81.429   81.429
LGA    T    24_A      T    24_A     1.278     0    0.099   1.159     3.987   81.429   74.762
LGA    L    25_A      L    25_A     1.226     0    0.014   0.337     1.711   81.429   81.488
LGA    R    26_A      R    26_A     1.041     0    0.038   1.157     4.581   81.429   76.320
LGA    A    27_A      A    27_A     1.328     0    0.022   0.023     1.421   81.429   81.429
LGA    Q    28_A      Q    28_A     1.449     0    0.010   1.373     4.682   79.286   68.995
LGA    G    29_A      G    29_A     1.575     0    0.031   0.031     1.613   77.143   77.143
LGA    Q    30_A      Q    30_A     1.202     0    0.048   1.175     5.156   81.429   69.101
LGA    L    31_A      L    31_A     0.962     0    0.041   0.155     1.994   88.214   81.607
LGA    L    32_A      L    32_A     0.498     0    0.034   0.166     0.917   97.619   95.238
LGA    D    33_A      D    33_A     0.511     0    0.046   0.069     0.545   95.238   96.429
LGA    V    34_A      V    34_A     0.322     0    0.017   0.054     0.446  100.000  100.000
LGA    V    35_A      V    35_A     0.193     0    0.059   1.046     2.380  100.000   89.932
LGA    L    36_A      L    36_A     0.625     0    0.058   0.144     1.305   92.857   88.274
LGA    T    37_A      T    37_A     0.306     0    0.077   1.133     2.846   95.238   85.918
LGA    I    38_A      I    38_A     1.700     0    0.042   0.564     3.390   72.976   66.071
LGA    N    39_A      N    39_A     2.711     0    0.592   0.576     4.481   61.071   52.381
LGA    R    40_A      R    40_A     2.419     0    0.092   1.319     4.319   66.905   60.130
LGA    E    41_A      E    41_A     1.064     0    0.084   0.268     2.501   85.952   75.132
LGA    A    42_A      A    42_A     0.215     0    0.025   0.040     0.895   95.238   96.190
LGA    F    43_A      F    43_A     0.966     0    0.102   0.098     2.293   90.476   77.836
LGA    P    44_A      P    44_A     0.721     0    0.026   0.131     1.273   88.214   85.306
LGA    A    45_A      A    45_A     0.469     0    0.023   0.026     0.529   97.619   98.095
LGA    H    46_A      H    46_A     0.445     0    0.027   0.050     0.869  100.000   95.238
LGA    K    47_A      K    47_A     0.375     0    0.026   0.138     0.560  100.000   97.884
LGA    V    48_A      V    48_A     0.133     0    0.084   0.961     2.034  100.000   91.088
LGA    V    49_A      V    49_A     0.330     0    0.015   0.068     0.674   97.619   98.639
LGA    L    50_A      L    50_A     0.713     0    0.015   0.071     1.624   90.476   84.940
LGA    A    51_A      A    51_A     0.359     0    0.049   0.049     0.747   95.238   96.190
LGA    A    52_A      A    52_A     0.768     0    0.039   0.051     1.275   85.952   86.857
LGA    C    53_A      C    53_A     1.513     0    0.033   0.692     2.014   77.143   75.794
LGA    S    54_A      S    54_A     1.409     0    0.044   0.123     1.798   83.690   81.508
LGA    D    55_A      D    55_A     1.703     0    0.060   0.272     3.810   77.143   66.369
LGA    Y    56_A      Y    56_A     1.419     0    0.006   0.076     2.150   81.548   75.079
LGA    F    57_A      F    57_A     0.722     0    0.028   0.082     1.611   92.857   84.848
LGA    R    58_A      R    58_A     0.755     0    0.021   1.495     7.614   90.476   59.307
LGA    A    59_A      A    59_A     0.864     0    0.039   0.040     1.105   90.476   88.667
LGA    M    60_A      M    60_A     0.560     0    0.031   0.976     4.035   90.476   75.714
LGA    F    61_A      F    61_A     0.725     0    0.087   0.113     1.186   88.214   88.009
LGA    T    62_A      T    62_A     1.347     0    0.166   0.190     1.933   81.429   77.755
LGA    G    63_A      G    63_A     1.242     0    0.147   0.147     1.425   85.952   85.952
LGA    G    64_A      G    64_A     1.389     0    0.051   0.051     2.037   75.119   75.119
LGA    M    65_A      M    65_A     1.576     0    0.044   0.915     4.167   77.143   67.560
LGA    R    66_A      R    66_A     1.633     0    0.059   1.359     5.743   77.143   53.506
LGA    E    67_A      E    67_A     0.795     0    0.035   1.072     2.316   90.476   81.799
LGA    A    68_A      A    68_A     0.737     0    0.109   0.110     1.304   85.952   86.857
LGA    S    69_A      S    69_A     1.395     0    0.118   0.112     1.761   79.286   77.143
LGA    Q    70_A      Q    70_A     0.723     0    0.028   0.496     2.471   90.476   87.672
LGA    D    71_A      D    71_A     0.337     0    0.027   0.163     0.729   97.619   96.429
LGA    V    72_A      V    72_A     0.556     0    0.023   0.041     1.105   88.214   87.891
LGA    I    73_A      I    73_A     0.942     0    0.026   0.622     1.298   90.476   85.952
LGA    E    74_A      E    74_A     0.831     0    0.031   0.086     1.021   88.214   91.587
LGA    L    75_A      L    75_A     0.760     0    0.336   0.477     1.606   86.071   82.679
LGA    K    76_A      K    76_A     1.963     0    0.143   0.890    11.468   65.476   36.455
LGA    G    77_A      G    77_A     2.910     0    0.303   0.303     3.641   59.762   59.762
LGA    V    78_A      V    78_A     2.338     0    0.106   1.155     3.279   66.786   62.721
LGA    S    79_A      S    79_A     2.118     0    0.018   0.120     2.445   68.810   67.460
LGA    A    80_A      A    80_A     1.692     0    0.035   0.036     1.888   75.000   74.571
LGA    R    81_A      R    81_A     1.657     0    0.019   0.832     4.685   75.000   60.173
LGA    G    82_A      G    82_A     1.356     0    0.009   0.009     1.520   81.548   81.548
LGA    L    83_A      L    83_A     1.059     0    0.041   0.126     1.161   85.952   83.690
LGA    R    84_A      R    84_A     0.905     0    0.033   1.373     4.417   88.214   65.022
LGA    H    85_A      H    85_A     1.133     0    0.029   0.532     2.066   81.429   78.905
LGA    I    86_A      I    86_A     1.136     0    0.030   0.652     1.621   85.952   83.750
LGA    I    87_A      I    87_A     0.821     0    0.019   0.067     1.282   90.476   87.083
LGA    D    88_A      D    88_A     0.808     0    0.086   0.231     1.397   90.476   88.214
LGA    F    89_A      F    89_A     0.719     0    0.030   0.169     0.893   95.238   95.671
LGA    A    90_A      A    90_A     0.293     0    0.017   0.020     0.488  100.000  100.000
LGA    Y    91_A      Y    91_A     0.442     0    0.041   0.080     0.699   95.238   98.413
LGA    S    92_A      S    92_A     0.815     0    0.036   0.068     1.243   88.214   88.968
LGA    A    93_A      A    93_A     0.789     0    0.042   0.049     0.794   90.476   90.476
LGA    E    94_A      E    94_A     0.968     0    0.107   0.884     3.067   90.476   81.058
LGA    V    95_A      V    95_A     1.233     0    0.095   0.144     1.972   83.690   79.048
LGA    T    96_A      T    96_A     1.110     0    0.100   0.093     1.451   81.429   81.429
LGA    L    97_A      L    97_A     1.307     0    0.042   0.138     1.497   81.429   81.429
LGA    D    98_A      D    98_A     1.301     0    0.087   0.784     1.948   83.690   79.345
LGA    L    99_A      L    99_A     1.141     0    0.088   0.152     2.362   83.690   78.333
LGA    D   100_A      D   100_A     0.746     0    0.170   0.890     3.827   88.214   73.393
LGA    C   101_A      C   101_A     0.551     0    0.041   0.046     0.664   90.476   90.476
LGA    V   102_A      V   102_A     0.614     0    0.022   0.073     0.785   90.476   90.476
LGA    Q   103_A      Q   103_A     0.460     0    0.040   0.847     3.415   97.619   83.915
LGA    D   104_A      D   104_A     0.479     0    0.014   0.092     0.680   97.619   95.238
LGA    V   105_A      V   105_A     0.481     0    0.010   0.044     0.835  100.000   95.918
LGA    L   106_A      L   106_A     0.252     0    0.028   0.070     0.324  100.000  100.000
LGA    G   107_A      G   107_A     0.166     0    0.025   0.025     0.460  100.000  100.000
LGA    A   108_A      A   108_A     0.409     0    0.057   0.063     0.558  100.000   98.095
LGA    A   109_A      A   109_A     0.251     0    0.021   0.027     0.288  100.000  100.000
LGA    V   110_A      V   110_A     0.537     0    0.014   0.033     0.805   92.857   91.837
LGA    F   111_A      F   111_A     0.818     0    0.009   0.490     1.955   90.476   82.424
LGA    L   112_A      L   112_A     0.369     0    0.095   0.120     1.918   97.619   89.583
LGA    Q   113_A      Q   113_A     0.754     0    0.149   0.178     1.567   92.857   85.608
LGA    M   114_A      M   114_A     1.524     0    0.035   1.163     2.786   77.143   72.024
LGA    L   115_A      L   115_A     1.736     0    0.054   0.192     2.406   72.857   70.833
LGA    P   116_A      P   116_A     1.925     0    0.072   0.117     2.348   72.857   69.388
LGA    V   117_A      V   117_A     1.309     0    0.021   0.042     1.471   81.429   81.429
LGA    V   118_A      V   118_A     0.935     0    0.016   0.093     1.365   83.690   85.306
LGA    E   119_A      E   119_A     1.923     0    0.053   0.720     3.241   72.857   67.619
LGA    L   120_A      L   120_A     1.884     0    0.032   0.101     2.203   72.857   69.821
LGA    C   121_A      C   121_A     0.975     0    0.025   0.040     1.234   83.690   85.952
LGA    E   122_A      E   122_A     1.430     0    0.054   0.838     3.994   77.143   66.243
LGA    E   123_A      E   123_A     2.071     0    0.024   0.858     4.932   70.833   54.550
LGA    F   124_A      F   124_A     1.417     0    0.014   0.180     1.618   79.286   82.294
LGA    L   125_A      L   125_A     0.972     0    0.060   1.385     3.437   85.952   73.929
LGA    K   126_A      K   126_A     1.532     0    0.033   1.140     6.325   79.286   59.365
LGA    A   127_A      A   127_A     1.347     0    0.029   0.027     1.456   81.429   81.429
LGA    A   128_A      A   128_A     1.024     0    0.138   0.136     1.668   79.286   83.429
LGA    M   129_A      M   129_A     1.729     0    0.114   0.897     4.535   69.048   61.845

# 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):     1.836          1.769                  2.450           83.574   79.163

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    123    1.23    87.600    94.179     9.230

LGA_LOCAL      RMSD:   1.233  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.884  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.836  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.969614 * X  +  -0.233176 * Y  +  -0.074015 * Z  +  59.723732
  Y_new =  -0.029414 * X  +  -0.411466 * Y  +   0.910951 * Z  + -49.091885
  Z_new =  -0.242866 * X  +  -0.881093 * Y  +  -0.405821 * Z  +  -5.333508 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.030326  0.245320 -2.002421   [DEG:   -1.7376   14.0558 -114.7302 ]
ZXZ: -3.060521  1.988674 -2.872629   [DEG: -175.3549  113.9426 -164.5895 ]
 
# END of job
