
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.40     1.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.40     1.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       5_B - 104_B       0.95     1.44
  LCS_AVERAGE:     66.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     5_B     Q     5_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    100  125  125     69  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    100  125  125     69  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    100  125  125     24  101  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    100  125  125     36  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    100  125  125      5   82  113  116  116  118  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    100  125  125     22  109  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    100  125  125      6  109  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    100  125  125     54  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    100  125  125     55  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    100  125  125     43  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    100  125  125     34  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    100  125  125      4   22   83  114  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    100  125  125     49  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    100  125  125     43  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    100  125  125     55  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    100  125  125     60  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    100  125  125     69  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    100  125  125     67  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    100  125  125      9  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    100  125  125     73  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    100  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    100  125  125     50  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    100  125  125      5   49  112  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    100  125  125      5    8   12   36   89  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    100  125  125      5   13   45  104  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      9  125  125      5    8   24   99  115  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      9  125  125      5    8   12   16   60   77  119  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      4  125  125      3    6   17   34   83  117  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      4  125  125      3    4   29   75  106  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      4  125  125      3    4    5    6   30   56   92  121  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      4  125  125      3    4   25   61  114  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125      4   81  113  116  116  118  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     39  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     48  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     58  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     48  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     55  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     74  110  113  116  116  120  122  124  124  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.84  (  66.53  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     74    110    113    116    116    120    122    124    124    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  59.20  88.00  90.40  92.80  92.80  96.00  97.60  99.20  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.51   0.54   0.62   0.62   1.09   1.12   1.31   1.31   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40
GDT RMS_ALL_AT   1.56   1.50   1.49   1.50   1.50   1.41   1.42   1.41   1.41   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  F    39_B      F    39_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.595     0    0.661   0.486    10.032   88.810   50.053
LGA    L     6_B      L     6_B     0.699     0    0.022   0.189     0.857   90.476   90.476
LGA    V     7_B      V     7_B     0.591     0    0.151   0.889     2.424   92.857   85.646
LGA    E     8_B      E     8_B     0.800     0    0.064   0.251     0.941   90.476   90.476
LGA    S     9_B      S     9_B     0.598     0    0.061   0.512     1.926   95.238   90.714
LGA    G    10_B      G    10_B     0.669     0    0.690   0.690     3.178   80.476   80.476
LGA    G    11_B      G    11_B     1.247     0    0.020   0.020     1.414   85.952   85.952
LGA    G    12_B      G    12_B     1.058     0    0.037   0.037     1.058   88.214   88.214
LGA    L    13_B      L    13_B     1.168     0    0.040   0.198     2.242   81.429   78.274
LGA    V    14_B      V    14_B     0.764     0    0.049   1.189     3.099   90.476   82.177
LGA    Q    15_B      Q    15_B     0.524     0    0.013   1.323     5.124   95.238   74.392
LGA    A    16_B      A    16_B     0.461     0    0.048   0.083     0.555   97.619   98.095
LGA    G    17_B      G    17_B     0.582     0    0.038   0.038     0.644   95.238   95.238
LGA    G    18_B      G    18_B     0.372     0    0.074   0.074     1.152   92.976   92.976
LGA    S    19_B      S    19_B     0.313     0    0.063   0.106     0.726   97.619   96.825
LGA    L    20_B      L    20_B     0.214     0    0.023   1.065     2.309  100.000   90.000
LGA    G    21_B      G    21_B     0.356     0    0.046   0.046     0.356  100.000  100.000
LGA    L    22_B      L    22_B     0.253     0    0.019   0.116     0.519  100.000   98.810
LGA    S    23_B      S    23_B     0.416     0    0.012   0.080     0.673   95.238   95.238
LGA    C    24_B      C    24_B     0.725     0    0.071   0.137     1.031   88.214   88.968
LGA    A    25_B      A    25_B     0.595     0    0.062   0.075     0.605   92.857   92.381
LGA    A    26_B      A    26_B     0.751     0    0.068   0.082     0.885   90.476   90.476
LGA    S    27_B      S    27_B     0.589     0    0.219   0.305     2.712   79.881   80.476
LGA    G    28_B      G    28_B     1.263     0    0.122   0.122     2.706   75.476   75.476
LGA    R    29_B      R    29_B     2.751     0    0.521   0.774     5.777   54.048   38.918
LGA    T    30_B      T    30_B     0.940     0    0.301   0.335     2.607   81.786   78.163
LGA    F    31_B      F    31_B     1.118     0    0.031   0.081     1.302   85.952   84.719
LGA    S    32_B      S    32_B     0.616     0    0.097   0.089     0.904   90.476   90.476
LGA    N    33_B      N    33_B     0.606     0    0.092   0.992     2.608   92.857   85.298
LGA    Y    34_B      Y    34_B     0.895     0    0.019   0.151     1.068   88.214   87.460
LGA    V    35_B      V    35_B     0.916     0    0.060   0.883     2.340   90.476   84.286
LGA    M    36_B      M    36_B     0.722     0    0.027   0.238     0.858   90.476   90.476
LGA    A    37_B      A    37_B     0.719     0    0.021   0.031     0.816   90.476   90.476
LGA    W    38_B      W    38_B     0.437     0    0.000   0.074     0.475  100.000  100.000
LGA    F    39_B      F    39_B     0.467     0    0.033   0.072     1.011  100.000   92.294
LGA    R    40_B      R    40_B     0.460     0    0.000   0.193     1.141   95.238   93.983
LGA    Q    41_B      Q    41_B     0.710     0    0.028   0.200     1.587   90.476   86.508
LGA    A    42_B      A    42_B     0.762     0    0.000   0.028     0.858   90.476   90.476
LGA    P    43_B      P    43_B     1.028     0    0.072   0.366     1.162   90.595   87.959
LGA    G    44_B      G    44_B     1.127     0    0.117   0.117     1.127   81.429   81.429
LGA    K    45_B      K    45_B     1.123     0    0.088   0.884     3.616   85.952   73.122
LGA    E    46_B      E    46_B     0.782     0    0.040   0.329     2.137   90.476   81.693
LGA    R    47_B      R    47_B     0.795     0    0.028   0.710     1.708   90.476   88.874
LGA    E    48_B      E    48_B     0.549     0    0.024   0.323     1.100   95.238   92.646
LGA    F    49_B      F    49_B     0.428     0    0.029   0.074     0.696  100.000   94.805
LGA    V    50_B      V    50_B     0.323     0    0.013   0.043     0.416  100.000  100.000
LGA    A    51_B      A    51_B     0.429     0    0.017   0.032     0.469  100.000  100.000
LGA    R    52_B      R    52_B     0.231     0    0.078   0.834     1.843  100.000   89.091
LGA    I    53_B      I    53_B     0.359     0    0.045   0.207     0.776  100.000   97.619
LGA    S    54_B      S    54_B     0.305     0    0.010   0.184     1.130   95.238   92.143
LGA    E    55_B      E    55_B     0.740     0    0.666   1.005     3.736   80.476   74.868
LGA    S    56_B      S    56_B     2.711     0    0.473   0.460     4.655   68.929   57.381
LGA    R    57_B      R    57_B     0.444     0    0.024   0.763     6.845   90.714   61.558
LGA    G    58_B      G    58_B     0.880     0    0.027   0.027     1.252   88.214   88.214
LGA    T    59_B      T    59_B     0.883     0    0.139   0.795     2.614   88.214   83.129
LGA    T    60_B      T    60_B     0.455     0    0.055   0.214     0.879  100.000   97.279
LGA    D    61_B      D    61_B     0.499     0    0.013   0.187     1.009   95.238   91.726
LGA    Y    62_B      Y    62_B     0.386     0    0.013   0.056     0.565   97.619   98.413
LGA    A    63_B      A    63_B     0.431     0    0.022   0.023     0.507   97.619   98.095
LGA    D    64_B      D    64_B     0.624     0    0.080   0.334     1.633   90.476   88.274
LGA    S    65_B      S    65_B     0.933     0    0.022   0.040     1.094   88.214   88.968
LGA    V    66_B      V    66_B     0.824     0    0.028   0.130     0.924   90.476   90.476
LGA    K    67_B      K    67_B     0.900     0    0.020   0.749     3.378   90.476   78.466
LGA    G    68_B      G    68_B     0.727     0    0.096   0.096     0.962   90.476   90.476
LGA    R    69_B      R    69_B     0.379     0    0.029   0.066     0.544  100.000   99.134
LGA    F    70_B      F    70_B     0.180     0    0.018   0.135     0.460  100.000  100.000
LGA    T    71_B      T    71_B     0.195     0    0.016   0.142     0.487  100.000  100.000
LGA    I    72_B      I    72_B     0.350     0    0.038   0.143     0.515  100.000   98.810
LGA    S    73_B      S    73_B     0.250     0    0.028   0.078     0.424  100.000  100.000
LGA    R    74_B      R    74_B     0.266     0    0.072   0.312     0.792  100.000   94.805
LGA    D    75_B      D    75_B     0.402     0    0.000   0.636     1.972   97.619   91.845
LGA    N    76_B      N    76_B     0.379     0    0.106   0.111     0.841   97.619   97.619
LGA    A    77_B      A    77_B     0.408     0    0.021   0.020     0.734   95.238   96.190
LGA    K    78_B      K    78_B     0.870     0    0.029   0.788     1.645   90.476   84.497
LGA    N    79_B      N    79_B     0.381     0    0.030   0.382     1.235   95.238   94.107
LGA    T    80_B      T    80_B     0.587     0    0.075   1.251     2.990   92.857   82.313
LGA    I    81_B      I    81_B     0.668     0    0.018   0.338     1.359   95.238   90.595
LGA    Y    82_B      Y    82_B     0.296     0    0.045   0.085     0.697  100.000   97.619
LGA    L    83_B      L    83_B     0.330     0    0.022   0.140     0.464  100.000  100.000
LGA    Q    84_B      Q    84_B     0.306     0    0.034   0.115     0.863  100.000   95.767
LGA    M    85_B      M    85_B     0.238     0    0.089   0.675     1.876   97.619   93.095
LGA    N    86_B      N    86_B     0.250     0    0.000   0.211     0.642  100.000   98.810
LGA    S    87_B      S    87_B     0.384     0    0.000   0.180     0.866  100.000   98.413
LGA    L    88_B      L    88_B     0.433     0    0.077   0.118     0.617   95.238   96.429
LGA    N    89_B      N    89_B     0.857     0    0.007   0.181     1.124   90.476   89.345
LGA    P    90_B      P    90_B     1.005     0    0.053   0.059     1.158   83.690   82.721
LGA    G    91_B      G    91_B     0.928     0    0.005   0.005     0.991   90.476   90.476
LGA    D    92_B      D    92_B     0.607     0    0.000   0.151     0.665   90.476   92.857
LGA    T    93_B      T    93_B     0.690     0    0.020   0.072     0.842   90.476   90.476
LGA    A    94_B      A    94_B     0.594     0    0.054   0.076     0.714   90.476   90.476
LGA    V    95_B      V    95_B     0.348     0    0.012   0.112     0.531   97.619   98.639
LGA    Y    96_B      Y    96_B     0.138     0    0.069   0.090     0.272  100.000  100.000
LGA    S    97_B      S    97_B     0.355     0    0.016   0.043     0.532   97.619   98.413
LGA    C    98_B      C    98_B     0.586     0    0.023   0.059     0.712   92.857   92.063
LGA    A    99_B      A    99_B     0.669     0    0.013   0.033     0.850   90.476   90.476
LGA    A   100_B      A   100_B     0.990     0    0.016   0.027     1.160   85.952   85.048
LGA    T   101_B      T   101_B     1.405     0    0.082   1.186     3.793   75.357   70.136
LGA    L   102_B      L   102_B     2.099     0    0.024   0.292     5.154   70.952   55.536
LGA    P   103_B      P   103_B     4.730     0    0.067   0.315     6.183   33.095   28.299
LGA    A   104_B      A   104_B     3.734     0    0.099   0.094     4.147   41.786   43.429
LGA    W   105_B      W   105_B     3.409     0    0.111   0.250     5.827   43.929   41.565
LGA    T   106_B      T   106_B     5.487     0    0.015   0.116     6.397   24.048   22.313
LGA    G   107_B      G   107_B     5.047     0    0.641   0.641     5.047   39.405   39.405
LGA    I   108_B      I   108_B     4.034     0    0.028   0.270     7.165   34.524   26.131
LGA    I   109_B      I   109_B     5.872     0    0.034   1.000    10.215   23.810   13.452
LGA    G   110_B      G   110_B     4.118     0    0.319   0.319     4.118   47.143   47.143
LGA    G   111_B      G   111_B     2.267     0    0.697   0.697     2.267   73.214   73.214
LGA    R   112_B      R   112_B     0.646     0    0.048   0.401     1.150   90.595   88.874
LGA    R   113_B      R   113_B     0.927     0    0.031   0.162     3.021   90.476   75.152
LGA    P   114_B      P   114_B     0.948     0    0.078   0.366     1.321   90.476   89.184
LGA    G   115_B      G   115_B     0.870     0    0.028   0.028     0.891   90.476   90.476
LGA    N   116_B      N   116_B     0.649     0    0.051   0.175     1.525   92.857   87.202
LGA    Y   117_B      Y   117_B     0.558     0    0.003   0.101     0.981   90.476   90.476
LGA    P   118_B      P   118_B     0.773     0    0.016   0.046     0.926   90.476   90.476
LGA    Y   119_B      Y   119_B     0.619     0    0.025   0.122     0.811   90.476   92.063
LGA    W   120_B      W   120_B     0.644     0    0.075   0.137     1.073   90.476   89.184
LGA    G   121_B      G   121_B     0.581     0    0.011   0.011     0.783   90.476   90.476
LGA    Q   122_B      Q   122_B     0.823     0    0.012   1.591     7.782   90.476   60.899
LGA    G   123_B      G   123_B     0.552     0    0.120   0.120     0.911   92.857   92.857
LGA    T   124_B      T   124_B     0.257     0    0.022   0.205     0.867  100.000   98.639
LGA    Q   125_B      Q   125_B     0.382     0    0.043   0.169     0.763  100.000   94.709
LGA    V   126_B      V   126_B     0.501     0    0.040   0.148     0.744   92.857   94.558
LGA    T   127_B      T   127_B     0.839     0    0.029   0.089     1.313   90.476   87.891
LGA    V   128_B      V   128_B     0.721     0    0.000   0.077     0.837   90.476   90.476
LGA    S   129_B      S   129_B     0.842     0    0.092   0.632     2.159   85.952   83.175

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.404          1.411                  1.842           88.225   84.884

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    124    1.31    95.000    96.895     8.794

LGA_LOCAL      RMSD:   1.310  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.407  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.404  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.492723 * X  +  -0.742960 * Y  +   0.453029 * Z  + 125.774239
  Y_new =  -0.816675 * X  +  -0.574562 * Y  +  -0.054042 * Z  +   6.439001
  Z_new =   0.300444 * X  +  -0.343349 * Y  +  -0.889857 * Z  + -20.118755 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.027933 -0.305158 -2.773345   [DEG:  -58.8962  -17.4843 -158.9010 ]
ZXZ:  1.452068  2.667827  2.422741   [DEG:   83.1973  152.8552  138.8128 ]
 
# END of job
