
#######################################################
#                                                     #
#                        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       1.30     1.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.30     1.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       1_B - 98_B        1.00     1.37
  LCS_AVERAGE:     66.31

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     98  124  124      5   27   79  109  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     98  124  124     43  101  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     98  124  124     67  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     98  124  124     66  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     98  124  124     62  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     98  124  124     20  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     98  124  124      3    3    4   34   74  115  118  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     98  124  124      3   15   36  111  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     98  124  124      3   25   57  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     98  124  124     17  101  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     98  124  124     71  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     98  124  124     11  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     98  124  124     40  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     98  124  124     44  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     98  124  124     71  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     98  124  124      3   17   40   90  115  117  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     98  124  124      2   17   28   54   74  111  116  121  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     98  124  124      3    3    3   43   97  116  120  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     98  124  124     29  101  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     98  124  124     71  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     98  124  124     73  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     98  124  124     44  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     98  124  124     32  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     98  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     98  124  124     30  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     98  124  124     11  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     98  124  124     70  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     98  124  124     72  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B     47  124  124      3    4   33  103  114  117  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B     47  124  124      3   13   76  111  114  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B     47  124  124      3    4   24   94  114  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      5  124  124      4    6    8   36  106  117  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      5  124  124      4    5    7   57  106  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B     21  124  124      4    6   15   94  114  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B     21  124  124     74  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     21  124  124      4   95  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     21  124  124     12  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     21  124  124     40  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     21  124  124     28   95  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     21  124  124     11   53  108  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     21  124  124     12  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     21  124  124     68  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     21  124  124     74  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     21  124  124     74  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     21  124  124     75  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     21  124  124     60  102  110  112  115  118  121  122  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  88.77  (  66.31  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     75    102    110    112    115    118    121    122    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  60.48  82.26  88.71  90.32  92.74  95.16  97.58  98.39 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.45   0.55   0.62   0.76   0.97   1.12   1.17   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30
GDT RMS_ALL_AT   1.34   1.32   1.32   1.32   1.32   1.30   1.31   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  F   106_B      F   106_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.902     0    0.032   1.078     3.291   55.357   56.455
LGA    V     2_B      V     2_B     1.258     0    0.132   0.673     2.279   79.286   77.823
LGA    Q     3_B      Q     3_B     0.631     0    0.048   0.624     2.657   95.238   87.884
LGA    L     4_B      L     4_B     0.418     0    0.070   0.081     0.545   97.619   98.810
LGA    V     5_B      V     5_B     0.507     0    0.021   0.118     0.798   97.619   94.558
LGA    E     6_B      E     6_B     0.524     0    0.053   0.217     0.906   90.476   93.651
LGA    S     7_B      S     7_B     0.572     0    0.010   0.130     0.594   90.476   92.063
LGA    G     8_B      G     8_B     0.599     0    0.024   0.024     0.599   90.476   90.476
LGA    G     9_B      G     9_B     0.443     0    0.044   0.044     0.537   97.619   97.619
LGA    G    10_B      G    10_B     0.371     0    0.031   0.031     0.379  100.000  100.000
LGA    S    11_B      S    11_B     0.454     0    0.055   0.663     2.231  100.000   92.540
LGA    V    12_B      V    12_B     0.283     0    0.080   1.009     2.701  100.000   88.844
LGA    Q    13_B      Q    13_B     0.491     0    0.021   1.349     3.845   95.238   80.899
LGA    A    14_B      A    14_B     0.432     0    0.046   0.045     0.490  100.000  100.000
LGA    G    15_B      G    15_B     0.466     0    0.019   0.019     0.485  100.000  100.000
LGA    G    16_B      G    16_B     0.393     0    0.034   0.034     0.458  100.000  100.000
LGA    S    17_B      S    17_B     0.390     0    0.068   0.643     2.562   97.619   91.270
LGA    L    18_B      L    18_B     0.357     0    0.018   0.097     0.435  100.000  100.000
LGA    R    19_B      R    19_B     0.400     0    0.010   0.096     0.788  100.000   97.403
LGA    L    20_B      L    20_B     0.417     0    0.015   0.071     0.511   97.619   98.810
LGA    S    21_B      S    21_B     0.541     0    0.089   0.642     1.500   95.238   92.143
LGA    C    22_B      C    22_B     0.416     0    0.079   0.093     0.738   95.238   96.825
LGA    A    23_B      A    23_B     0.484     0    0.035   0.081     0.593  100.000   98.095
LGA    A    24_B      A    24_B     0.482     0    0.034   0.033     0.712   95.238   96.190
LGA    S    25_B      S    25_B     0.655     0    0.083   0.546     3.531   84.048   76.825
LGA    G    26_B      G    26_B     1.270     0    0.657   0.657     4.538   67.024   67.024
LGA    S    27_B      S    27_B     3.756     0    0.677   0.825     6.135   46.071   37.143
LGA    T    28_B      T    28_B     2.429     0    0.474   1.248     6.110   70.952   55.374
LGA    V    29_B      V    29_B     2.437     0    0.121   1.263     4.423   64.762   59.864
LGA    S    30_B      S    30_B     1.514     0    0.055   0.097     1.805   77.143   78.571
LGA    A    31_B      A    31_B     0.581     0    0.020   0.022     0.879   90.476   92.381
LGA    Y    32_B      Y    32_B     0.898     0    0.070   0.299     1.688   85.952   82.976
LGA    Y    33_B      Y    33_B     1.315     0    0.149   0.374     2.997   81.429   69.762
LGA    M    34_B      M    34_B     0.478     0    0.058   0.528     2.175   97.619   90.833
LGA    A    35_B      A    35_B     0.450     0    0.029   0.055     0.455  100.000  100.000
LGA    W    36_B      W    36_B     0.371     0    0.028   0.063     0.453  100.000  100.000
LGA    F    37_B      F    37_B     0.270     0    0.063   0.115     0.481  100.000  100.000
LGA    R    38_B      R    38_B     0.355     0    0.019   0.116     0.451  100.000  100.000
LGA    Q    39_B      Q    39_B     0.315     0    0.091   0.515     1.412  100.000   95.873
LGA    A    40_B      A    40_B     0.504     0    0.057   0.074     0.527   92.857   94.286
LGA    P    41_B      P    41_B     0.404     0    0.064   0.345     0.919   97.619   95.918
LGA    G    42_B      G    42_B     0.698     0    0.085   0.085     1.170   88.214   88.214
LGA    K    43_B      K    43_B     0.332     0    0.037   0.426     1.558  100.000   89.735
LGA    G    44_B      G    44_B     0.706     0    0.052   0.052     0.706   90.476   90.476
LGA    R    45_B      R    45_B     0.631     0    0.020   0.070     0.846   95.238   92.208
LGA    E    46_B      E    46_B     0.321     0    0.020   0.080     0.903  100.000   95.767
LGA    G    47_B      G    47_B     0.298     0    0.014   0.014     0.402  100.000  100.000
LGA    V    48_B      V    48_B     0.321     0    0.023   0.053     0.368  100.000  100.000
LGA    A    49_B      A    49_B     0.394     0    0.031   0.031     0.511  100.000   98.095
LGA    V    50_B      V    50_B     0.688     0    0.069   0.150     0.892   90.476   90.476
LGA    I    51_B      I    51_B     0.359     0    0.076   0.999     2.760   84.405   76.726
LGA    G    52_B      G    52_B     3.295     0    0.486   0.486     6.803   39.881   39.881
LGA    G    53_B      G    53_B     5.036     0    0.601   0.601     5.036   42.500   42.500
LGA    S    54_B      S    54_B     4.353     0    0.635   0.612     8.151   33.214   25.159
LGA    G    55_B      G    55_B     1.305     0    0.106   0.106     1.909   77.143   77.143
LGA    V    56_B      V    56_B     0.731     0    0.109   0.114     1.627   90.476   84.150
LGA    Y    57_B      Y    57_B     0.634     0    0.058   0.078     0.989   90.476   95.238
LGA    A    58_B      A    58_B     0.535     0    0.010   0.020     0.572   90.476   92.381
LGA    D    59_B      D    59_B     0.529     0    0.014   0.143     1.093   97.619   92.917
LGA    A    60_B      A    60_B     0.445     0    0.033   0.033     0.581  100.000   98.095
LGA    V    61_B      V    61_B     0.409     0    0.010   0.032     0.578   95.238   97.279
LGA    K    62_B      K    62_B     0.609     0    0.044   0.598     1.741   90.476   86.508
LGA    G    63_B      G    63_B     0.855     0    0.154   0.154     1.487   88.214   88.214
LGA    R    64_B      R    64_B     0.285     0    0.027   0.143     0.688  100.000   95.671
LGA    F    65_B      F    65_B     0.177     0    0.038   0.076     0.267  100.000  100.000
LGA    T    66_B      T    66_B     0.148     0    0.024   0.061     0.600  100.000   97.279
LGA    I    67_B      I    67_B     0.051     0    0.043   0.061     0.289  100.000  100.000
LGA    S    68_B      S    68_B     0.192     0    0.039   0.088     0.411  100.000  100.000
LGA    Q    69_B      Q    69_B     0.567     0    0.159   0.519     1.577   92.857   87.566
LGA    D    70_B      D    70_B     0.420     0    0.037   0.130     1.102  100.000   94.107
LGA    N    71_B      N    71_B     0.566     0    0.016   1.061     3.061   95.238   85.536
LGA    A    72_B      A    72_B     0.940     0    0.027   0.032     1.062   90.476   88.667
LGA    K    73_B      K    73_B     0.831     0    0.027   0.609     4.870   90.476   72.751
LGA    N    74_B      N    74_B     0.593     0    0.056   0.911     4.304   92.857   77.440
LGA    T    75_B      T    75_B     0.451     0    0.017   0.095     0.853  100.000   95.918
LGA    L    76_B      L    76_B     0.250     0    0.056   0.557     2.042  100.000   92.083
LGA    Y    77_B      Y    77_B     0.255     0    0.029   0.125     1.126  100.000   94.484
LGA    L    78_B      L    78_B     0.229     0    0.022   0.073     0.446  100.000  100.000
LGA    Q    79_B      Q    79_B     0.136     0    0.015   0.939     3.909  100.000   84.815
LGA    M    80_B      M    80_B     0.276     0    0.050   0.117     0.326  100.000  100.000
LGA    N    81_B      N    81_B     0.207     0    0.007   0.198     0.930  100.000   98.810
LGA    S    82_B      S    82_B     0.409     0    0.021   0.050     0.544  100.000   98.413
LGA    L    83_B      L    83_B     0.303     0    0.036   0.110     0.547  100.000   98.810
LGA    K    84_B      K    84_B     0.435     0    0.016   0.708     1.776  100.000   90.741
LGA    P    85_B      P    85_B     0.118     0    0.055   0.070     0.421  100.000  100.000
LGA    E    86_B      E    86_B     0.450     0    0.057   0.554     1.627  100.000   89.788
LGA    D    87_B      D    87_B     0.219     0    0.021   0.046     0.270  100.000  100.000
LGA    T    88_B      T    88_B     0.152     0    0.091   0.186     0.569   97.619   97.279
LGA    A    89_B      A    89_B     0.326     0    0.019   0.024     0.370  100.000  100.000
LGA    M    90_B      M    90_B     0.358     0    0.020   0.619     2.006  100.000   92.024
LGA    Y    91_B      Y    91_B     0.109     0    0.034   0.099     0.407  100.000  100.000
LGA    Y    92_B      Y    92_B     0.357     0    0.051   0.082     0.513  100.000   99.206
LGA    C    93_B      C    93_B     0.324     0    0.022   0.101     0.726   95.238   96.825
LGA    A    94_B      A    94_B     0.630     0    0.039   0.044     0.688   92.857   92.381
LGA    A    95_B      A    95_B     0.969     0    0.066   0.079     0.969   90.476   90.476
LGA    Y    96_B      Y    96_B     1.079     0    0.076   0.382     1.546   83.690   80.754
LGA    W    97_B      W    97_B     0.384     0    0.015   0.158     4.226   90.595   65.680
LGA    K    98_B      K    98_B     0.649     0    0.644   0.621     3.912   90.595   74.339
LGA    G    99_B      G    99_B     3.669     0    0.020   0.020     3.942   46.667   46.667
LGA    Y   100_B      Y   100_B     2.711     0    0.628   1.111     9.679   53.690   32.817
LGA    K   101_B      K   101_B     3.778     0    0.447   0.668     6.675   46.667   33.492
LGA    Y   102_B      Y   102_B     4.250     0    0.066   1.402    11.287   29.048   17.103
LGA    H   103_B      H   103_B     3.741     0    0.088   1.226     4.770   54.167   46.524
LGA    P   104_B      P   104_B     3.231     0    0.580   0.641     5.932   68.690   49.796
LGA    K   105_B      K   105_B     0.782     0    0.484   0.703     8.495   88.214   54.233
LGA    F   106_B      F   106_B     1.281     0    0.097   1.372     8.212   83.690   49.654
LGA    D   107_B      D   107_B     0.983     0    0.178   0.309     1.943   85.952   83.750
LGA    D   108_B      D   108_B     0.842     0    0.027   0.165     1.230   85.952   87.083
LGA    S   109_B      S   109_B     1.607     0    0.046   0.079     2.268   72.976   70.238
LGA    A   110_B      A   110_B     2.105     0    0.191   0.187     3.108   63.095   63.429
LGA    Y   111_B      Y   111_B     1.076     0    0.091   0.140     1.258   83.690   85.198
LGA    E   112_B      E   112_B     0.619     0    0.014   0.608     1.716   95.238   89.630
LGA    Y   113_B      Y   113_B     0.338     0    0.036   0.173     1.607   97.619   89.921
LGA    W   114_B      W   114_B     0.292     0    0.039   0.129     0.812  100.000   97.959
LGA    G   115_B      G   115_B     0.350     0    0.068   0.068     0.629   97.619   97.619
LGA    Q   116_B      Q   116_B     0.375     0    0.023   0.904     3.380  100.000   84.497
LGA    G   117_B      G   117_B     0.139     0    0.054   0.054     0.224  100.000  100.000
LGA    T   118_B      T   118_B     0.541     0    0.015   1.262     2.668   95.238   84.762
LGA    Q   119_B      Q   119_B     0.445     0    0.039   0.951     2.976   97.619   84.286
LGA    V   120_B      V   120_B     0.173     0    0.043   0.062     0.316  100.000  100.000
LGA    T   121_B      T   121_B     0.159     0    0.030   0.091     0.317  100.000  100.000
LGA    V   122_B      V   122_B     0.163     0    0.078   0.114     0.514   97.619   98.639
LGA    S   123_B      S   123_B     0.152     0    0.080   0.149     0.912   97.619   98.413
LGA    S   124_B      S   124_B     0.758     0    0.263   0.720     3.342   90.595   82.302

# 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):     1.300          1.338                  1.918           89.883   85.647

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    122    1.17    92.742    96.081     9.614

LGA_LOCAL      RMSD:   1.169  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.304  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.300  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.643156 * X  +   0.251100 * Y  +  -0.723394 * Z  + -12.891945
  Y_new =  -0.558091 * X  +   0.493121 * Y  +   0.667358 * Z  + -27.217808
  Z_new =   0.524294 * X  +   0.832935 * Y  +  -0.177017 * Z  +  22.456852 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.426890 -0.551886  1.780203   [DEG: -139.0506  -31.6207  101.9981 ]
ZXZ: -2.315924  1.748751  0.561795   [DEG: -132.6927  100.1961   32.1885 ]
 
# END of job
