
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.57     1.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.57     1.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    96       2_B - 97_B        0.98     1.66
  LCS_AVERAGE:     63.64

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     Q     1_B     Q     1_B     52  124  124      9   22   41   77  110  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     96  124  124      7   54  105  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     96  124  124     41   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     96  124  124     66   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     96  124  124     64   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     96  124  124     64   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     96  124  124     63   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     96  124  124     60   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     96  124  124     38   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     96  124  124      4   94  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     96  124  124      4   94  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     96  124  124      7   31  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     96  124  124     41   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     96  124  124     33   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     96  124  124     54   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     96  124  124     38   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     96  124  124     48   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     96  124  124     63   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     96  124  124     65   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     96  124  124     54   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     96  124  124      3    3   32   77  109  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     96  124  124      3    3    6    8   16   70  106  119  120  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     96  124  124      3    3    3   66   86  104  119  119  120  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     96  124  124     55   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     96  124  124     63   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     96  124  124     66   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     96  124  124     65   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     96  124  124     65   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     96  124  124     58   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     96  124  124     50   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     96  124  124     50   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     96  124  124     64   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     96  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     96  124  124     53   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     96  124  124     38   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     96  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     45  124  124     12   41   75  100  112  115  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  124  124      0    4    6    6   17   63   80  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    3    6   18   41   93  118  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3    5   16   30   69  107  118  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  124  124      3    5    8   30   89  105  118  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B     15  124  124      4   39   98  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B     21  124  124     14   61  102  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B     21  124  124      4   54  105  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     21  124  124      3   41   98  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     21  124  124     62   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     21  124  124      4   64  105  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     21  124  124      6   16   63  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     21  124  124      6   95  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     21  124  124     64   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     21  124  124     54   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     21  124  124     67   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     21  124  124     56   98  108  112  115  117  119  119  122  124  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  87.88  (  63.64  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     67     98    108    112    115    117    119    119    122    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  54.03  79.03  87.10  90.32  92.74  94.35  95.97  95.97  98.39 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.48   0.62   0.71   0.81   0.94   1.06   1.06   1.45   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57
GDT RMS_ALL_AT   1.61   1.61   1.61   1.60   1.60   1.60   1.61   1.61   1.58   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.57

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     3.816     0    0.194   0.926     7.318   39.048   32.222
LGA    V     2_B      V     2_B     1.908     0    0.135   0.162     2.292   68.810   69.388
LGA    Q     3_B      Q     3_B     1.065     0    0.030   0.542     3.827   88.333   72.063
LGA    L     4_B      L     4_B     0.371     0    0.048   0.110     0.648   92.857   96.429
LGA    V     5_B      V     5_B     0.573     0    0.015   0.110     0.854   90.476   90.476
LGA    E     6_B      E     6_B     0.557     0    0.026   0.336     0.904   90.476   92.593
LGA    S     7_B      S     7_B     0.577     0    0.045   0.630     1.343   90.476   88.968
LGA    G     8_B      G     8_B     0.535     0    0.040   0.040     0.676   90.476   90.476
LGA    G     9_B      G     9_B     0.619     0    0.163   0.163     1.042   92.976   92.976
LGA    G    10_B      G    10_B     0.631     0    0.031   0.031     0.631   95.238   95.238
LGA    S    11_B      S    11_B     0.465     0    0.040   0.667     2.086   92.857   89.365
LGA    V    12_B      V    12_B     0.603     0    0.074   0.159     0.682   90.476   91.837
LGA    Q    13_B      Q    13_B     0.687     0    0.047   0.568     2.233   90.476   79.947
LGA    A    14_B      A    14_B     0.462     0    0.040   0.052     0.489  100.000  100.000
LGA    G    15_B      G    15_B     0.320     0    0.065   0.065     0.418  100.000  100.000
LGA    G    16_B      G    16_B     0.394     0    0.038   0.038     0.493  100.000  100.000
LGA    S    17_B      S    17_B     0.109     0    0.031   0.678     2.422  100.000   94.127
LGA    L    18_B      L    18_B     0.163     0    0.052   0.061     0.291  100.000  100.000
LGA    R    19_B      R    19_B     0.295     0    0.043   0.327     1.929  100.000   90.043
LGA    L    20_B      L    20_B     0.334     0    0.028   0.081     0.347  100.000  100.000
LGA    S    21_B      S    21_B     0.388     0    0.050   0.122     0.493  100.000  100.000
LGA    C    22_B      C    22_B     0.558     0    0.049   0.091     1.243   97.619   93.730
LGA    A    23_B      A    23_B     0.474     0    0.068   0.117     0.498  100.000  100.000
LGA    A    24_B      A    24_B     0.478     0    0.043   0.045     0.567   95.238   96.190
LGA    S    25_B      S    25_B     0.463     0    0.087   0.597     2.216   97.619   90.952
LGA    G    26_B      G    26_B     1.108     0    0.073   0.073     1.475   83.690   83.690
LGA    S    27_B      S    27_B     1.421     0    0.113   0.220     2.596   83.690   77.460
LGA    T    28_B      T    28_B     1.343     0    0.043   0.175     1.677   77.143   78.980
LGA    V    29_B      V    29_B     1.468     0    0.038   1.106     3.884   81.429   72.381
LGA    S    30_B      S    30_B     1.081     0    0.015   0.571     1.862   81.548   80.079
LGA    A    31_B      A    31_B     1.511     0    0.048   0.049     2.582   73.333   73.238
LGA    Y    32_B      Y    32_B     1.214     0    0.065   0.190     1.858   81.429   78.571
LGA    Y    33_B      Y    33_B     0.928     0    0.110   0.432     1.435   88.214   86.706
LGA    M    34_B      M    34_B     0.578     0    0.059   0.227     1.247   90.476   88.214
LGA    A    35_B      A    35_B     0.348     0    0.010   0.035     0.393  100.000  100.000
LGA    W    36_B      W    36_B     0.275     0    0.015   0.068     0.383  100.000  100.000
LGA    F    37_B      F    37_B     0.078     0    0.064   0.107     0.831  100.000   96.537
LGA    R    38_B      R    38_B     0.072     0    0.027   0.999     2.969  100.000   89.394
LGA    Q    39_B      Q    39_B     0.121     0    0.065   0.955     2.790  100.000   93.175
LGA    A    40_B      A    40_B     0.561     0    0.081   0.087     0.780   92.857   92.381
LGA    P    41_B      P    41_B     0.907     0    0.054   0.184     1.655   90.476   85.374
LGA    G    42_B      G    42_B     0.863     0    0.193   0.193     1.651   83.810   83.810
LGA    K    43_B      K    43_B     0.395     0    0.052   0.772     3.180  100.000   85.291
LGA    G    44_B      G    44_B     0.108     0    0.050   0.050     0.247  100.000  100.000
LGA    R    45_B      R    45_B     0.484     0    0.029   0.754     3.613   95.238   78.788
LGA    E    46_B      E    46_B     0.847     0    0.067   0.558     2.835   95.238   80.212
LGA    G    47_B      G    47_B     0.166     0    0.048   0.048     0.515   97.619   97.619
LGA    V    48_B      V    48_B     0.160     0    0.039   0.113     0.302  100.000  100.000
LGA    A    49_B      A    49_B     0.167     0    0.051   0.056     0.253  100.000  100.000
LGA    V    50_B      V    50_B     0.404     0    0.062   1.143     2.695  100.000   88.844
LGA    I    51_B      I    51_B     0.187     0    0.089   0.979     2.735   84.405   73.690
LGA    G    52_B      G    52_B     3.292     0    0.598   0.598     6.132   42.262   42.262
LGA    G    53_B      G    53_B     5.305     0    0.413   0.413     5.305   41.429   41.429
LGA    S    54_B      S    54_B     3.853     0    0.533   0.844     5.972   36.310   32.143
LGA    G    55_B      G    55_B     0.812     0    0.044   0.044     1.216   85.952   85.952
LGA    V    56_B      V    56_B     0.517     0    0.054   0.106     0.713   90.476   93.197
LGA    Y    57_B      Y    57_B     0.458     0    0.067   0.160     0.896   95.238   94.444
LGA    A    58_B      A    58_B     0.548     0    0.077   0.084     0.711   92.857   94.286
LGA    D    59_B      D    59_B     0.597     0    0.045   0.157     1.192   92.857   90.536
LGA    A    60_B      A    60_B     0.611     0    0.099   0.097     1.066   88.214   88.667
LGA    V    61_B      V    61_B     0.430     0    0.046   0.130     0.647  100.000   97.279
LGA    K    62_B      K    62_B     0.432     0    0.600   1.327     3.082   85.119   82.381
LGA    G    63_B      G    63_B     0.940     0    0.114   0.114     1.355   88.214   88.214
LGA    R    64_B      R    64_B     0.423     0    0.063   1.017     2.916   97.619   86.883
LGA    F    65_B      F    65_B     0.339     0    0.032   0.257     0.900  100.000   97.403
LGA    T    66_B      T    66_B     0.384     0    0.073   1.062     2.773  100.000   90.000
LGA    I    67_B      I    67_B     0.449     0    0.027   0.104     0.609  100.000   97.619
LGA    S    68_B      S    68_B     0.568     0    0.049   0.106     0.600   92.857   93.651
LGA    Q    69_B      Q    69_B     0.594     0    0.184   0.946     2.816   88.214   80.053
LGA    D    70_B      D    70_B     0.630     0    0.041   0.101     1.100   90.476   89.345
LGA    N    71_B      N    71_B     1.185     0    0.066   0.277     1.319   81.429   81.429
LGA    A    72_B      A    72_B     1.483     0    0.123   0.123     2.015   75.119   76.381
LGA    K    73_B      K    73_B     1.315     0    0.071   0.852     4.088   81.429   68.042
LGA    N    74_B      N    74_B     0.734     0    0.055   0.758     2.458   88.214   87.321
LGA    T    75_B      T    75_B     0.554     0    0.064   0.111     0.836   90.476   90.476
LGA    L    76_B      L    76_B     0.596     0    0.078   0.914     3.605   90.476   82.321
LGA    Y    77_B      Y    77_B     0.305     0    0.051   0.098     0.608  100.000   98.413
LGA    L    78_B      L    78_B     0.283     0    0.038   0.144     0.408  100.000  100.000
LGA    Q    79_B      Q    79_B     0.263     0    0.018   0.757     2.145  100.000   90.952
LGA    M    80_B      M    80_B     0.296     0    0.111   0.136     0.551  100.000   98.810
LGA    N    81_B      N    81_B     0.318     0    0.022   0.318     1.529  100.000   95.417
LGA    S    82_B      S    82_B     0.287     0    0.036   0.705     2.609  100.000   92.857
LGA    L    83_B      L    83_B     0.194     0    0.019   0.107     0.535  100.000   98.810
LGA    K    84_B      K    84_B     0.317     0    0.039   0.985     2.968  100.000   90.000
LGA    P    85_B      P    85_B     0.257     0    0.086   0.108     0.444  100.000  100.000
LGA    E    86_B      E    86_B     0.240     0    0.080   1.352     5.853   97.619   71.481
LGA    D    87_B      D    87_B     0.209     0    0.035   0.242     0.753  100.000   97.619
LGA    T    88_B      T    88_B     0.187     0    0.031   0.111     0.386  100.000  100.000
LGA    A    89_B      A    89_B     0.240     0    0.059   0.075     0.416  100.000  100.000
LGA    M    90_B      M    90_B     0.208     0    0.053   1.156     4.579  100.000   86.071
LGA    Y    91_B      Y    91_B     0.050     0    0.032   0.094     0.488  100.000  100.000
LGA    Y    92_B      Y    92_B     0.197     0    0.035   0.093     0.482  100.000  100.000
LGA    C    93_B      C    93_B     0.253     0    0.039   0.192     0.602  100.000   98.413
LGA    A    94_B      A    94_B     0.286     0    0.060   0.071     0.473  100.000  100.000
LGA    A    95_B      A    95_B     0.659     0    0.062   0.078     0.731   90.476   90.476
LGA    Y    96_B      Y    96_B     1.000     0    0.081   0.382     2.929   88.214   72.698
LGA    W    97_B      W    97_B     0.713     0    0.614   0.669     2.027   84.048   87.415
LGA    K    98_B      K    98_B     3.529     0    0.672   0.776    15.367   46.905   22.857
LGA    G    99_B      G    99_B     6.209     0    0.732   0.732     6.209   21.786   21.786
LGA    Y   100_B      Y   100_B     6.551     0    0.764   0.991    15.790   16.190    6.389
LGA    K   101_B      K   101_B     6.276     0    0.417   0.843    11.956   16.190    8.042
LGA    Y   102_B      Y   102_B     6.283     0    0.049   1.339     8.265   22.976   23.095
LGA    H   103_B      H   103_B     2.867     0    0.120   1.445     5.213   50.357   44.667
LGA    P   104_B      P   104_B     2.324     0    0.557   0.449     2.906   64.881   63.741
LGA    K   105_B      K   105_B     1.985     0    0.369   0.783     2.872   66.905   65.873
LGA    F   106_B      F   106_B     1.895     0    0.302   1.103     9.951   83.810   40.476
LGA    D   107_B      D   107_B     0.877     0    0.050   0.911     2.999   88.452   76.667
LGA    D   108_B      D   108_B     0.441     0    0.114   1.028     3.200   88.333   81.012
LGA    S   109_B      S   109_B     2.047     0    0.060   0.658     2.898   67.024   69.286
LGA    A   110_B      A   110_B     2.741     0    0.081   0.081     3.274   60.952   58.762
LGA    Y   111_B      Y   111_B     1.314     0    0.116   0.226     1.617   79.286   80.714
LGA    E   112_B      E   112_B     0.585     0    0.075   0.780     2.942   92.857   83.228
LGA    Y   113_B      Y   113_B     0.204     0    0.047   0.211     2.412  100.000   86.389
LGA    W   114_B      W   114_B     0.183     0    0.066   0.085     1.095  100.000   91.905
LGA    G   115_B      G   115_B     0.412     0    0.068   0.068     0.565   97.619   97.619
LGA    Q   116_B      Q   116_B     0.314     0    0.091   1.453     4.718   97.619   81.005
LGA    G   117_B      G   117_B     0.577     0    0.106   0.106     0.864   92.857   92.857
LGA    T   118_B      T   118_B     0.292     0    0.021   1.275     2.952  100.000   88.844
LGA    Q   119_B      Q   119_B     0.328     0    0.023   0.189     0.421  100.000  100.000
LGA    V   120_B      V   120_B     0.362     0    0.050   0.054     0.499  100.000  100.000
LGA    T   121_B      T   121_B     0.235     0    0.029   0.099     0.363  100.000  100.000
LGA    V   122_B      V   122_B     0.360     0    0.082   0.090     0.753   95.238   95.918
LGA    S   123_B      S   123_B     0.581     0    0.042   0.650     2.347   92.857   87.778
LGA    S   124_B      S   124_B     0.986     0    0.253   0.314     1.457   85.952   85.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     1.573          1.577                  2.353           87.812   83.770

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    119    1.06    91.331    95.359    10.301

LGA_LOCAL      RMSD:   1.055  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.609  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.573  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.249108 * X  +  -0.730697 * Y  +   0.635631 * Z  +  -1.833511
  Y_new =  -0.065156 * X  +  -0.667478 * Y  +  -0.741773 * Z  +  29.106752
  Z_new =   0.966281 * X  +   0.143367 * Y  +  -0.213883 * Z  + -15.584339 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.255825 -1.310374  2.551076   [DEG:  -14.6577  -75.0789  146.1659 ]
ZXZ:  0.708490  1.786345  1.423501   [DEG:   40.5935  102.3500   81.5606 ]
 
# END of job
