
#######################################################
#                                                     #
#                        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       1.36     1.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_A - 129_A       1.36     1.36
  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     1.45
  LCS_AVERAGE:     46.94

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     26  125  125      4    7    8   12   24  104  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K     6_A     K     6_A     51  125  125      5   22   45   74  110  121  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C     7_A     C     7_A     55  125  125      5   59  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T     8_A     T     8_A     55  125  125     26   62  108  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F     9_A     F     9_A     55  125  125      5   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    10_A     S    10_A     55  125  125     30   82  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    11_A     A    11_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    12_A     P    12_A     55  125  125     30   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     55  125  125     30   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    14_A     H    14_A     55  125  125     26   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    15_A     S    15_A     55  125  125     26   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    16_A     T    16_A     55  125  125     30   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    17_A     S    17_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    18_A     L    18_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    19_A     L    19_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    20_A     Q    20_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_A     G    21_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_A     L    22_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    23_A     A    23_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    24_A     T    24_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    26_A     R    26_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    27_A     A    27_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    28_A     Q    28_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    29_A     G    29_A     55  125  125     30   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    30_A     Q    30_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    31_A     L    31_A     55  125  125      3   57  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     55  125  125     30   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    33_A     D    33_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    34_A     V    34_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_A     V    35_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     55  125  125     21   82  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    37_A     T    37_A     55  125  125     26   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    38_A     I    38_A     55  125  125     21   74  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    39_A     N    39_A     55  125  125      5   12   62  116  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_A     R    40_A     55  125  125      3   32   63   95  116  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    41_A     E    41_A     55  125  125     32   77  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_A     A    42_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    43_A     F    43_A     55  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    44_A     P    44_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    45_A     A    45_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    46_A     H    46_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    47_A     K    47_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     55  125  125     33   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    49_A     V    49_A     55  125  125     33   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    50_A     L    50_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_A     A    51_A     55  125  125     33   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    52_A     A    52_A     55  125  125     26   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    53_A     C    53_A     55  125  125     26   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_A     S    54_A     55  125  125     17   78  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    55_A     D    55_A     55  125  125     19   74  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    56_A     Y    56_A     55  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    57_A     F    57_A     55  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    58_A     R    58_A     55  125  125     20   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     55  125  125     19   80  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    60_A     M    60_A     55  125  125     17   77  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    61_A     F    61_A     55  125  125     15   57   99  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     55  125  125     15   28   84  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    63_A     G    63_A     55  125  125     19   77  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    64_A     G    64_A     23  125  125      3   23   40   99  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    65_A     M    65_A      4  125  125      3    3    6    9   13   23   90  107  121  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    66_A     R    66_A     64  125  125     16   42   72  112  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    67_A     E    67_A     64  125  125     30   77  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    68_A     A    68_A     64  125  125     21   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    69_A     S    69_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    70_A     Q    70_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    71_A     D    71_A     64  125  125     29   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    72_A     V    72_A     64  125  125     16   80  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    73_A     I    73_A     64  125  125     10   64  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    74_A     E    74_A     64  125  125     10   71  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    75_A     L    75_A     64  125  125     10   67  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    76_A     K    76_A     64  125  125     19   59  108  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    77_A     G    77_A     64  125  125     19   58  104  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    78_A     V    78_A     64  125  125      3   58  102  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    79_A     S    79_A     64  125  125      6   47   94  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     64  125  125      8   53   92  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    81_A     R    81_A     64  125  125     32   71  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    82_A     G    82_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    84_A     R    84_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     H    85_A     H    85_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    86_A     I    86_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    87_A     I    87_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    88_A     D    88_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    89_A     F    89_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    90_A     A    90_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    91_A     Y    91_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    92_A     S    92_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    93_A     A    93_A     64  125  125     21   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    94_A     E    94_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_A     V    95_A     64  125  125     24   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    96_A     T    96_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    97_A     L    97_A     64  125  125     14   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    98_A     D    98_A     64  125  125     14   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    99_A     L    99_A     64  125  125      4   65  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   100_A     D   100_A     64  125  125     13   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   101_A     C   101_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   102_A     V   102_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   103_A     Q   103_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D   104_A     D   104_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   105_A     V   105_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_A     G   107_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   108_A     A   108_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   111_A     F   111_A     64  125  125     32   82  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   112_A     L   112_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   113_A     Q   113_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   114_A     M   114_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   115_A     L   115_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   116_A     P   116_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   117_A     V   117_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   118_A     V   118_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   119_A     E   119_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   120_A     L   120_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C   121_A     C   121_A     64  125  125     34   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   122_A     E   122_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     64  125  125     32   77  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F   124_A     F   124_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   125_A     L   125_A     64  125  125     33   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K   126_A     K   126_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   127_A     A   127_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     64  125  125     32   83  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M   129_A     M   129_A     64  125  125     29   69  109  118  120  122  123  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  82.31  (  46.94  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     83    109    118    120    122    123    124    124    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  27.20  66.40  87.20  94.40  96.00  97.60  98.40  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.67   0.86   1.00   1.05   1.12   1.17   1.25   1.25   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36
GDT RMS_ALL_AT   1.41   1.38   1.38   1.37   1.37   1.37   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36

# 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     4.809     0    0.244   1.462     6.827   27.619   24.107
LGA    K     6_A      K     6_A     3.386     0    0.069   0.814     7.609   65.833   42.116
LGA    C     7_A      C     7_A     1.252     0    0.047   0.169     2.886   70.952   68.968
LGA    T     8_A      T     8_A     2.181     0    0.016   0.043     4.484   72.976   58.503
LGA    F     9_A      F     9_A     1.082     0    0.020   0.102     4.333   79.286   59.740
LGA    S    10_A      S    10_A     1.406     0    0.024   0.059     2.856   79.286   73.175
LGA    A    11_A      A    11_A     1.257     0    0.142   0.154     1.792   77.143   79.810
LGA    P    12_A      P    12_A     1.573     0    0.039   0.287     1.841   75.000   77.823
LGA    S    13_A      S    13_A     1.518     0    0.009   0.041     1.576   77.143   77.143
LGA    H    14_A      H    14_A     1.014     0    0.039   0.088     1.433   83.690   83.238
LGA    S    15_A      S    15_A     1.352     0    0.033   0.659     1.708   81.429   80.000
LGA    T    16_A      T    16_A     1.522     0    0.035   0.033     2.018   79.286   75.374
LGA    S    17_A      S    17_A     1.035     0    0.045   0.046     1.170   85.952   87.460
LGA    L    18_A      L    18_A     0.737     0    0.034   0.253     1.443   90.476   88.214
LGA    L    19_A      L    19_A     1.150     0    0.033   1.386     3.019   81.429   75.417
LGA    Q    20_A      Q    20_A     1.239     0    0.012   0.727     2.231   81.429   80.582
LGA    G    21_A      G    21_A     0.929     0    0.071   0.071     1.030   88.214   88.214
LGA    L    22_A      L    22_A     0.807     0    0.010   0.065     0.882   90.476   90.476
LGA    A    23_A      A    23_A     0.901     0    0.012   0.018     0.980   90.476   90.476
LGA    T    24_A      T    24_A     1.053     0    0.091   1.141     3.613   81.429   74.762
LGA    L    25_A      L    25_A     0.887     0    0.023   0.127     1.016   88.214   90.536
LGA    R    26_A      R    26_A     0.823     0    0.042   0.392     1.752   85.952   84.762
LGA    A    27_A      A    27_A     1.163     0    0.030   0.037     1.381   81.429   81.429
LGA    Q    28_A      Q    28_A     1.127     0    0.017   0.936     3.351   81.429   80.000
LGA    G    29_A      G    29_A     1.242     0    0.008   0.008     1.242   81.429   81.429
LGA    Q    30_A      Q    30_A     1.010     0    0.526   0.828     3.482   73.571   69.894
LGA    L    31_A      L    31_A     1.726     0    0.295   1.379     5.515   68.929   58.810
LGA    L    32_A      L    32_A     0.694     0    0.022   0.147     1.153   85.952   88.214
LGA    D    33_A      D    33_A     0.376     0    0.013   0.076     0.458  100.000  100.000
LGA    V    34_A      V    34_A     0.261     0    0.022   0.070     0.456  100.000  100.000
LGA    V    35_A      V    35_A     0.366     0    0.045   0.057     0.791   95.238   97.279
LGA    L    36_A      L    36_A     0.836     0    0.022   0.118     1.238   90.476   85.952
LGA    T    37_A      T    37_A     0.670     0    0.049   1.137     2.563   90.476   82.041
LGA    I    38_A      I    38_A     1.116     0    0.283   1.277     4.141   85.952   71.190
LGA    N    39_A      N    39_A     2.646     0    0.215   0.228     3.653   51.905   57.381
LGA    R    40_A      R    40_A     3.255     0    0.151   1.296     5.908   51.905   40.260
LGA    E    41_A      E    41_A     1.045     0    0.056   0.123     2.088   85.952   79.683
LGA    A    42_A      A    42_A     0.429     0    0.016   0.028     0.612   95.238   94.286
LGA    F    43_A      F    43_A     0.758     0    0.058   0.103     2.230   90.476   78.571
LGA    P    44_A      P    44_A     0.504     0    0.028   0.358     1.654   92.857   89.320
LGA    A    45_A      A    45_A     0.314     0    0.055   0.071     0.474  100.000  100.000
LGA    H    46_A      H    46_A     0.153     0    0.010   1.039     5.586  100.000   70.571
LGA    K    47_A      K    47_A     0.248     0    0.017   0.092     0.356  100.000  100.000
LGA    V    48_A      V    48_A     0.301     0    0.064   0.961     2.098  100.000   89.728
LGA    V    49_A      V    49_A     0.328     0    0.017   0.036     0.548   97.619   98.639
LGA    L    50_A      L    50_A     0.400     0    0.025   0.132     1.499  100.000   92.976
LGA    A    51_A      A    51_A     0.214     0    0.086   0.089     0.884   97.619   98.095
LGA    A    52_A      A    52_A     0.634     0    0.143   0.157     1.013   90.595   90.571
LGA    C    53_A      C    53_A     1.122     0    0.110   0.119     1.518   88.214   84.524
LGA    S    54_A      S    54_A     1.024     0    0.063   0.747     2.943   85.952   81.905
LGA    D    55_A      D    55_A     1.191     0    0.040   0.075     2.257   85.952   78.393
LGA    Y    56_A      Y    56_A     0.721     0    0.024   0.107     1.856   95.238   83.889
LGA    F    57_A      F    57_A     0.620     0    0.005   0.067     1.785   92.857   84.069
LGA    R    58_A      R    58_A     0.780     0    0.018   1.089     7.582   90.595   58.571
LGA    A    59_A      A    59_A     0.984     0    0.019   0.023     1.393   85.952   86.857
LGA    M    60_A      M    60_A     1.213     0    0.034   0.167     1.973   79.405   78.274
LGA    F    61_A      F    61_A     1.804     0    0.156   0.172     2.484   70.952   72.944
LGA    T    62_A      T    62_A     2.237     0    0.029   0.058     2.357   66.786   67.075
LGA    G    63_A      G    63_A     1.480     0    0.654   0.654     2.971   71.071   71.071
LGA    G    64_A      G    64_A     3.476     0    0.694   0.694     5.306   42.619   42.619
LGA    M    65_A      M    65_A     6.192     0    0.678   1.399    11.788   34.405   17.798
LGA    R    66_A      R    66_A     2.889     0    0.662   1.278     9.326   47.143   27.229
LGA    E    67_A      E    67_A     1.309     0    0.147   0.757     2.716   86.190   73.492
LGA    A    68_A      A    68_A     0.858     0    0.042   0.049     1.412   88.214   86.857
LGA    S    69_A      S    69_A     0.689     0    0.036   0.039     0.848   92.857   92.063
LGA    Q    70_A      Q    70_A     0.328     0    0.094   0.952     3.726   97.619   81.376
LGA    D    71_A      D    71_A     0.554     0    0.057   0.394     2.496   95.238   84.107
LGA    V    72_A      V    72_A     1.031     0    0.043   0.075     1.613   81.548   80.272
LGA    I    73_A      I    73_A     1.415     0    0.033   0.096     1.977   81.429   77.143
LGA    E    74_A      E    74_A     1.267     0    0.025   0.103     1.450   81.429   81.429
LGA    L    75_A      L    75_A     1.392     0    0.101   0.133     1.685   77.143   79.286
LGA    K    76_A      K    76_A     1.557     0    0.030   0.076     1.658   75.000   74.762
LGA    G    77_A      G    77_A     1.760     0    0.024   0.024     1.879   72.857   72.857
LGA    V    78_A      V    78_A     1.811     0    0.031   0.058     2.018   75.000   72.925
LGA    S    79_A      S    79_A     2.113     0    0.130   0.510     2.769   68.810   68.968
LGA    A    80_A      A    80_A     2.046     0    0.043   0.064     2.541   68.810   66.476
LGA    R    81_A      R    81_A     1.299     0    0.022   0.178     1.505   83.810   86.450
LGA    G    82_A      G    82_A     0.532     0    0.079   0.079     0.832   90.476   90.476
LGA    L    83_A      L    83_A     0.665     0    0.027   0.091     0.862   92.857   91.667
LGA    R    84_A      R    84_A     0.666     0    0.023   0.716     3.672   90.476   67.792
LGA    H    85_A      H    85_A     0.562     0    0.028   0.277     1.075   92.857   89.619
LGA    I    86_A      I    86_A     0.438     0    0.026   0.124     0.515  100.000   98.810
LGA    I    87_A      I    87_A     0.523     0    0.035   0.046     1.127   95.238   91.726
LGA    D    88_A      D    88_A     0.508     0    0.040   0.128     1.069   95.238   91.726
LGA    F    89_A      F    89_A     0.340     0    0.047   0.219     0.495  100.000  100.000
LGA    A    90_A      A    90_A     0.416     0    0.016   0.021     0.756   95.238   94.286
LGA    Y    91_A      Y    91_A     0.415     0    0.074   0.133     0.685   97.619   96.825
LGA    S    92_A      S    92_A     0.582     0    0.018   0.052     0.901   92.857   92.063
LGA    A    93_A      A    93_A     0.901     0    0.016   0.019     1.171   88.214   86.857
LGA    E    94_A      E    94_A     0.813     0    0.023   0.156     1.959   90.476   82.593
LGA    V    95_A      V    95_A     0.782     0    0.017   0.051     0.941   90.476   90.476
LGA    T    96_A      T    96_A     0.806     0    0.016   0.038     1.297   90.476   86.599
LGA    L    97_A      L    97_A     0.808     0    0.051   0.110     1.819   88.214   82.679
LGA    D    98_A      D    98_A     0.830     0    0.090   0.258     1.301   90.476   88.214
LGA    L    99_A      L    99_A     1.457     0    0.050   1.374     4.204   79.286   72.679
LGA    D   100_A      D   100_A     1.102     0    0.072   0.905     4.001   85.952   70.357
LGA    C   101_A      C   101_A     0.667     0    0.037   0.091     0.816   90.476   90.476
LGA    V   102_A      V   102_A     0.661     0    0.032   1.010     2.974   90.476   84.422
LGA    Q   103_A      Q   103_A     0.494     0    0.045   0.349     1.540   97.619   92.751
LGA    D   104_A      D   104_A     0.290     0    0.016   0.088     0.425  100.000  100.000
LGA    V   105_A      V   105_A     0.411     0    0.024   0.067     0.544  100.000   98.639
LGA    L   106_A      L   106_A     0.550     0    0.047   0.117     0.673   90.476   91.667
LGA    G   107_A      G   107_A     0.715     0    0.069   0.069     0.715   90.476   90.476
LGA    A   108_A      A   108_A     0.686     0    0.048   0.051     0.686   90.476   90.476
LGA    A   109_A      A   109_A     0.511     0    0.026   0.028     0.689   90.476   92.381
LGA    V   110_A      V   110_A     0.879     0    0.019   0.031     0.999   90.476   90.476
LGA    F   111_A      F   111_A     1.060     0    0.022   0.452     2.059   88.214   78.485
LGA    L   112_A      L   112_A     0.563     0    0.048   0.073     1.013   92.857   90.536
LGA    Q   113_A      Q   113_A     0.485     0    0.039   0.109     0.862   95.238   92.593
LGA    M   114_A      M   114_A     0.489     0    0.041   0.686     2.259  100.000   92.083
LGA    L   115_A      L   115_A     0.457     0    0.050   1.439     3.902   97.619   79.286
LGA    P   116_A      P   116_A     0.400     0    0.024   0.318     0.969  100.000   95.918
LGA    V   117_A      V   117_A     0.321     0    0.023   0.068     0.397  100.000  100.000
LGA    V   118_A      V   118_A     0.527     0    0.027   0.044     0.637   92.857   91.837
LGA    E   119_A      E   119_A     0.763     0    0.028   0.423     1.837   90.476   86.508
LGA    L   120_A      L   120_A     0.639     0    0.013   0.128     0.781   90.476   92.857
LGA    C   121_A      C   121_A     0.533     0    0.025   0.061     0.684   90.476   92.063
LGA    E   122_A      E   122_A     0.938     0    0.022   0.188     1.413   85.952   83.439
LGA    E   123_A      E   123_A     1.241     0    0.012   0.967     5.900   81.429   58.307
LGA    F   124_A      F   124_A     0.977     0    0.040   0.345     1.351   88.214   87.186
LGA    L   125_A      L   125_A     0.828     0    0.024   0.114     0.875   90.476   90.476
LGA    K   126_A      K   126_A     1.107     0    0.024   1.071     5.853   83.690   63.810
LGA    A   127_A      A   127_A     1.108     0    0.013   0.015     1.128   81.429   81.429
LGA    A   128_A      A   128_A     1.113     0    0.049   0.057     1.245   81.429   81.429
LGA    M   129_A      M   129_A     1.513     0    0.071   1.266     6.709   75.000   62.024

# 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):     1.357          1.356                  1.980           85.352   81.027

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    124    1.25    90.000    95.418     9.206

LGA_LOCAL      RMSD:   1.247  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.360  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.357  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.442497 * X  +   0.604810 * Y  +  -0.662119 * Z  +  35.305500
  Y_new =  -0.297958 * X  +   0.597235 * Y  +   0.744669 * Z  +  -7.289930
  Z_new =   0.845823 * X  +   0.526797 * Y  +  -0.084068 * Z  +  -7.795614 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.548974 -1.008107  1.729044   [DEG: -146.0455  -57.7603   99.0669 ]
ZXZ: -2.414807  1.654963  1.013765   [DEG: -138.3582   94.8224   58.0845 ]
 
# END of job
