
#######################################################
#                                                     #
#                        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       2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.99     2.05
  LCS_AVERAGE:     70.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       1_B - 98_B        0.90     2.23
  LCS_AVERAGE:     64.98

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  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     98  102  124     73  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     98  102  124     77  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     98  102  124     78  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     98  102  124     70  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     98  102  124     61  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     98  102  124     21  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     98  102  124     18  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     98  102  124     51  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     98  102  124     18  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     98  102  124     76  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     98  102  124     77  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     98  102  124     59  101  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     98  102  124     78  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     98  102  124     73  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     98  102  124     26   99  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     98  102  124     55  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     98  102  124     80  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     98  102  124      3    3   25  104  113  115  117  117  118  119  120  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     98  102  124      3    3   10   24   38   58  112  117  118  119  120  121  123  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     98  102  124      4    4    4   36  104  115  117  117  118  118  119  121  123  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     98  102  124      5   75  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     98  102  124     79  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     98  102  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     98  102  124     33  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     98  102  124      9   99  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     98  102  124     35  100  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     98  102  124      3    6   14  105  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  102  124      3    4    4    5    6    8   37   64  110  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  102  124      3    4    4    9   15   28   46   71  101  118  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  102  124      3    4   10   21   34   62   94  114  116  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  102  124      3    4    6    9   16   20   41   74  105  118  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      4    6  124      3    4    6   19   50   87  111  114  117  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      4   21  124      4    4    8   19   51   90  109  114  117  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      3   21  124      4   43   91  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     19   21  124      4    4   36  109  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     19   21  124     19   98  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     19   21  124      6  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     19   21  124     12   60  107  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     19   21  124     17   88  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     19   21  124     73  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     19   21  124     36   99  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     19   21  124     81  102  110  112  113  115  117  117  118  119  121  122  123  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  78.52  (  64.98   70.57  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     81    102    110    112    113    115    117    117    118    119    121    122    123    124    124    124    124    124    124    124 
GDT PERCENT_AT  65.32  82.26  88.71  90.32  91.13  92.74  94.35  94.35  95.16  95.97  97.58  98.39  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.44   0.54   0.59   0.65   0.74   0.87   0.87   0.98   1.56   1.92   1.95   1.87   2.04   2.04   2.04   2.04   2.04   2.04   2.04
GDT RMS_ALL_AT   2.16   2.18   2.16   2.15   2.14   2.15   2.16   2.16   2.17   2.05   2.05   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04   2.04

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  D   108_B      D   108_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.428     0    0.218   1.111     4.017   92.857   79.947
LGA    V     2_B      V     2_B     0.799     0    0.029   1.020     2.515   90.476   83.197
LGA    Q     3_B      Q     3_B     0.614     0    0.061   0.853     2.402   90.476   83.651
LGA    L     4_B      L     4_B     0.440     0    0.040   0.057     0.634   92.857   92.857
LGA    V     5_B      V     5_B     0.518     0    0.050   0.833     2.439   95.238   87.007
LGA    E     6_B      E     6_B     0.524     0    0.024   0.277     0.899   90.476   91.534
LGA    S     7_B      S     7_B     0.554     0    0.042   0.640     1.442   90.476   88.968
LGA    G     8_B      G     8_B     0.597     0    0.033   0.033     0.708   90.476   90.476
LGA    G     9_B      G     9_B     0.598     0    0.084   0.084     0.749   92.857   92.857
LGA    G    10_B      G    10_B     0.214     0    0.030   0.030     0.294  100.000  100.000
LGA    S    11_B      S    11_B     0.300     0    0.060   0.789     2.240   97.619   92.540
LGA    V    12_B      V    12_B     0.336     0    0.080   1.176     2.607  100.000   88.844
LGA    Q    13_B      Q    13_B     0.302     0    0.054   0.607     2.173   97.619   83.280
LGA    A    14_B      A    14_B     0.313     0    0.030   0.044     0.368  100.000  100.000
LGA    G    15_B      G    15_B     0.319     0    0.054   0.054     0.476  100.000  100.000
LGA    G    16_B      G    16_B     0.521     0    0.042   0.042     0.557   95.238   95.238
LGA    S    17_B      S    17_B     0.166     0    0.040   0.088     0.389  100.000  100.000
LGA    L    18_B      L    18_B     0.097     0    0.049   1.361     2.948  100.000   85.893
LGA    R    19_B      R    19_B     0.256     0    0.030   1.485     7.008  100.000   77.662
LGA    L    20_B      L    20_B     0.333     0    0.024   0.078     0.339  100.000  100.000
LGA    S    21_B      S    21_B     0.407     0    0.060   0.657     1.522  100.000   93.889
LGA    C    22_B      C    22_B     0.311     0    0.057   0.062     0.814  100.000   96.825
LGA    A    23_B      A    23_B     0.205     0    0.067   0.120     0.281  100.000  100.000
LGA    A    24_B      A    24_B     0.404     0    0.039   0.044     0.470  100.000  100.000
LGA    S    25_B      S    25_B     0.716     0    0.079   0.087     1.074   92.857   90.556
LGA    G    26_B      G    26_B     0.926     0    0.514   0.514     2.413   79.524   79.524
LGA    S    27_B      S    27_B     1.056     0    0.080   0.437     1.494   81.429   82.937
LGA    T    28_B      T    28_B     1.175     0    0.032   0.106     1.407   85.952   84.014
LGA    V    29_B      V    29_B     0.944     0    0.071   0.095     1.283   88.214   85.306
LGA    S    30_B      S    30_B     1.067     0    0.040   0.658     2.181   85.952   81.667
LGA    A    31_B      A    31_B     0.608     0    0.116   0.120     1.047   88.214   86.857
LGA    Y    32_B      Y    32_B     0.714     0    0.084   0.370     1.296   90.476   87.460
LGA    Y    33_B      Y    33_B     1.021     0    0.175   1.117     7.642   83.690   56.627
LGA    M    34_B      M    34_B     0.574     0    0.076   0.538     2.655   90.476   86.310
LGA    A    35_B      A    35_B     0.446     0    0.018   0.051     0.491  100.000  100.000
LGA    W    36_B      W    36_B     0.332     0    0.022   0.117     0.504  100.000   99.320
LGA    F    37_B      F    37_B     0.194     0    0.059   0.119     0.522  100.000   99.134
LGA    R    38_B      R    38_B     0.242     0    0.036   0.203     0.848  100.000   99.134
LGA    Q    39_B      Q    39_B     0.174     0    0.085   0.561     1.928  100.000   95.926
LGA    A    40_B      A    40_B     0.662     0    0.072   0.074     0.952   90.476   90.476
LGA    P    41_B      P    41_B     1.089     0    0.558   0.610     4.228   70.476   77.755
LGA    G    42_B      G    42_B     0.766     0    0.312   0.312     2.819   82.262   82.262
LGA    K    43_B      K    43_B     0.493     0    0.033   0.928     4.052  100.000   82.698
LGA    G    44_B      G    44_B     0.437     0    0.061   0.061     0.483  100.000  100.000
LGA    R    45_B      R    45_B     0.440     0    0.071   0.551     2.423   95.238   85.887
LGA    E    46_B      E    46_B     0.571     0    0.044   0.647     2.321   97.619   88.783
LGA    G    47_B      G    47_B     0.350     0    0.032   0.032     0.350  100.000  100.000
LGA    V    48_B      V    48_B     0.344     0    0.070   1.244     2.621   97.619   86.122
LGA    A    49_B      A    49_B     0.341     0    0.035   0.048     0.395  100.000  100.000
LGA    V    50_B      V    50_B     0.505     0    0.049   0.407     1.466   97.619   91.973
LGA    I    51_B      I    51_B     0.320     0    0.020   1.011     3.116   86.548   73.869
LGA    G    52_B      G    52_B     2.843     0    0.552   0.552     6.495   46.071   46.071
LGA    G    53_B      G    53_B     5.041     0    0.417   0.417     5.041   46.071   46.071
LGA    S    54_B      S    54_B     3.584     0    0.598   0.879     5.856   36.310   34.762
LGA    G    55_B      G    55_B     1.350     0    0.146   0.146     1.769   79.286   79.286
LGA    V    56_B      V    56_B     0.123     0    0.075   0.108     0.768  100.000   97.279
LGA    Y    57_B      Y    57_B     0.065     0    0.069   0.073     0.484  100.000  100.000
LGA    A    58_B      A    58_B     0.099     0    0.088   0.096     0.292  100.000  100.000
LGA    D    59_B      D    59_B     0.058     0    0.050   0.243     0.608  100.000   98.810
LGA    A    60_B      A    60_B     0.152     0    0.074   0.073     0.589   97.619   98.095
LGA    V    61_B      V    61_B     0.145     0    0.089   0.147     0.470  100.000  100.000
LGA    K    62_B      K    62_B     0.212     0    0.065   0.658     1.540  100.000   90.794
LGA    G    63_B      G    63_B     0.407     0    0.117   0.117     0.931   97.619   97.619
LGA    R    64_B      R    64_B     0.150     0    0.026   1.053     3.210  100.000   90.303
LGA    F    65_B      F    65_B     0.097     0    0.059   0.285     0.752  100.000   96.537
LGA    T    66_B      T    66_B     0.139     0    0.026   0.063     0.273  100.000  100.000
LGA    I    67_B      I    67_B     0.207     0    0.018   0.113     0.339  100.000  100.000
LGA    S    68_B      S    68_B     0.365     0    0.044   0.119     0.399  100.000  100.000
LGA    Q    69_B      Q    69_B     0.330     0    0.137   0.553     2.078   97.619   86.931
LGA    D    70_B      D    70_B     0.481     0    0.041   0.780     2.023  100.000   89.821
LGA    N    71_B      N    71_B     0.600     0    0.057   1.102     2.362   92.857   85.238
LGA    A    72_B      A    72_B     0.722     0    0.121   0.119     1.070   88.214   88.667
LGA    K    73_B      K    73_B     0.759     0    0.102   0.615     3.119   90.476   84.974
LGA    N    74_B      N    74_B     0.373     0    0.065   1.145     3.155   97.619   87.976
LGA    T    75_B      T    75_B     0.219     0    0.074   1.111     2.690  100.000   88.844
LGA    L    76_B      L    76_B     0.368     0    0.079   1.365     3.794   97.619   86.131
LGA    Y    77_B      Y    77_B     0.207     0    0.057   0.078     0.364  100.000  100.000
LGA    L    78_B      L    78_B     0.303     0    0.037   0.093     0.560  100.000   97.619
LGA    Q    79_B      Q    79_B     0.145     0    0.040   0.940     3.432  100.000   83.915
LGA    M    80_B      M    80_B     0.116     0    0.058   0.674     1.750  100.000   94.286
LGA    N    81_B      N    81_B     0.126     0    0.015   0.284     0.935  100.000   97.619
LGA    S    82_B      S    82_B     0.081     0    0.020   0.706     2.205  100.000   94.127
LGA    L    83_B      L    83_B     0.176     0    0.016   0.144     0.731  100.000   97.619
LGA    K    84_B      K    84_B     0.183     0    0.028   0.907     2.152  100.000   89.947
LGA    P    85_B      P    85_B     0.162     0    0.073   0.086     0.302  100.000  100.000
LGA    E    86_B      E    86_B     0.186     0    0.060   0.565     2.045  100.000   92.910
LGA    D    87_B      D    87_B     0.100     0    0.049   0.138     0.448  100.000  100.000
LGA    T    88_B      T    88_B     0.198     0    0.022   0.985     2.414  100.000   91.088
LGA    A    89_B      A    89_B     0.246     0    0.054   0.063     0.450  100.000  100.000
LGA    M    90_B      M    90_B     0.276     0    0.042   1.005     2.202  100.000   89.881
LGA    Y    91_B      Y    91_B     0.048     0    0.026   0.087     0.245  100.000  100.000
LGA    Y    92_B      Y    92_B     0.219     0    0.046   0.094     0.270  100.000  100.000
LGA    C    93_B      C    93_B     0.341     0    0.051   0.164     0.847  100.000   96.825
LGA    A    94_B      A    94_B     0.433     0    0.057   0.069     0.633   95.238   96.190
LGA    A    95_B      A    95_B     0.785     0    0.049   0.052     0.918   90.476   90.476
LGA    Y    96_B      Y    96_B     1.327     0    0.024   0.349     3.566   81.429   66.786
LGA    W    97_B      W    97_B     1.197     0    0.615   1.368     7.820   79.286   49.490
LGA    K    98_B      K    98_B     3.323     0    0.638   1.148     9.658   38.214   22.011
LGA    G    99_B      G    99_B     7.827     0    0.631   0.631     8.682    9.048    9.048
LGA    Y   100_B      Y   100_B     9.842     0    0.685   0.578    13.306    0.595    0.198
LGA    K   101_B      K   101_B     9.152     0    0.388   0.954    13.353    0.833    0.423
LGA    Y   102_B      Y   102_B    10.569     0    0.068   1.128    18.607    0.833    0.278
LGA    H   103_B      H   103_B     7.602     0    0.110   1.405     8.839    5.476   11.476
LGA    P   104_B      P   104_B     7.509     0    0.704   0.707     8.132   13.929   11.088
LGA    K   105_B      K   105_B     2.851     0    0.360   1.305     4.583   52.857   54.497
LGA    F   106_B      F   106_B     2.786     0    0.462   1.136     4.519   67.024   60.173
LGA    D   107_B      D   107_B     1.277     0    0.250   0.414     1.832   79.286   82.679
LGA    D   108_B      D   108_B     1.021     0    0.073   0.959     3.174   81.429   72.321
LGA    S   109_B      S   109_B     2.092     0    0.072   0.122     2.832   68.810   64.921
LGA    A   110_B      A   110_B     1.927     0    0.057   0.061     2.101   72.857   71.238
LGA    Y   111_B      Y   111_B     0.698     0    0.076   0.203     1.173   88.214   89.762
LGA    E   112_B      E   112_B     1.288     0    0.098   0.931     1.985   88.214   82.698
LGA    Y   113_B      Y   113_B     0.332     0    0.038   0.101     0.886   97.619   95.238
LGA    W   114_B      W   114_B     0.333     0    0.053   0.052     0.487  100.000  100.000
LGA    G   115_B      G   115_B     0.274     0    0.074   0.074     0.528   97.619   97.619
LGA    Q   116_B      Q   116_B     0.140     0    0.075   1.272     5.338   97.619   70.794
LGA    G   117_B      G   117_B     0.350     0    0.087   0.087     0.350  100.000  100.000
LGA    T   118_B      T   118_B     0.434     0    0.036   0.891     2.050  100.000   89.728
LGA    Q   119_B      Q   119_B     0.445     0    0.065   0.768     2.042  100.000   88.889
LGA    V   120_B      V   120_B     0.115     0    0.056   0.059     0.316  100.000  100.000
LGA    T   121_B      T   121_B     0.064     0    0.042   0.074     0.183  100.000  100.000
LGA    V   122_B      V   122_B     0.170     0    0.095   0.095     0.521   97.619   97.279
LGA    S   123_B      S   123_B     0.120     0    0.145   0.189     0.926   97.619   96.825
LGA    S   124_B      S   124_B     0.543     0    0.057   0.601     2.573   83.810   82.063

# 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):     2.039          2.078                  2.781           88.344   84.141

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    117    0.87    91.734    87.486    12.097

LGA_LOCAL      RMSD:   0.867  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.165  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   2.039  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.375757 * X  +   0.924790 * Y  +   0.059751 * Z  +   0.973492
  Y_new =   0.489954 * X  +   0.143521 * Y  +   0.859853 * Z  + -59.284588
  Z_new =   0.786608 * X  +   0.352371 * Y  +  -0.507033 * Z  +  26.130251 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.225040 -0.905296  2.534254   [DEG:  127.4854  -51.8696  145.2020 ]
ZXZ:  3.072214  2.102536  1.149638   [DEG:  176.0249  120.4664   65.8694 ]
 
# END of job
