
#######################################################
#                                                     #
#                        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       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       5_B - 107_B       0.91     1.09
  LCS_AVERAGE:     70.80

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    103  125  125     68  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B    103  125  125      3  110  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B    103  125  125     61  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B    103  125  125     61  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B    103  125  125     75  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B    103  125  125     36  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B    103  125  125     32  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B    103  125  125     10  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B    103  125  125     55  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B    103  125  125     66  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B    103  125  125     61  110  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B    103  125  125     72  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B    103  125  125      4  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B    103  125  125      4    5   66  111  120  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B    103  125  125     13  101  117  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B    103  125  125      3    5    8   19  115  121  123  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B    103  125  125      3    5   47   88  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B    103  125  125     12   91  116  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B    103  125  125     65  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B    103  125  125     70  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B    103  125  125     74  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B    103  125  125     55  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B    103  125  125     62  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B    103  125  125     41  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B    103  125  125     32  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B    103  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B    103  125  125     76  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B    103  125  125     24  110  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B    103  125  125     24   77  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B    103  125  125      6   63  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B    103  125  125     24  110  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B    103  125  125      4  107  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B     50  125  125      4    5   10   34   48  120  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      4  125  125      4    4    6   16   30   89  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125     13  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125     75  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     66  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     63  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     32  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     41  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     61  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     77  111  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  90.27  (  70.80  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     77    111    118    120    121    122    124    125    125    125    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  61.60  88.80  94.40  96.00  96.80  97.60  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.50   0.60   0.64   0.72   0.77   1.01   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08
GDT RMS_ALL_AT   1.11   1.10   1.11   1.10   1.10   1.10   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08

# 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:  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     0.681     0    0.663   0.538    10.414   86.429   47.196
LGA    L     6_B      L     6_B     0.566     0    0.024   0.181     0.715   90.476   90.476
LGA    V     7_B      V     7_B     0.406     0    0.151   0.880     2.209   97.619   89.728
LGA    E     8_B      E     8_B     0.651     0    0.058   0.242     0.934   90.476   91.534
LGA    S     9_B      S     9_B     0.677     0    0.062   0.515     1.628   95.238   90.714
LGA    G    10_B      G    10_B     0.375     0    0.692   0.692     3.080   85.119   85.119
LGA    G    11_B      G    11_B     1.249     0    0.032   0.032     1.408   85.952   85.952
LGA    G    12_B      G    12_B     0.746     0    0.040   0.040     0.746   95.238   95.238
LGA    L    13_B      L    13_B     0.696     0    0.045   0.201     1.599   90.476   87.143
LGA    V    14_B      V    14_B     0.457     0    0.041   0.929     2.235  100.000   89.728
LGA    Q    15_B      Q    15_B     0.359     0    0.010   1.390     5.523  100.000   74.656
LGA    A    16_B      A    16_B     0.390     0    0.037   0.067     0.392  100.000  100.000
LGA    G    17_B      G    17_B     0.460     0    0.032   0.032     0.583   97.619   97.619
LGA    G    18_B      G    18_B     0.419     0    0.064   0.064     0.833   97.619   97.619
LGA    S    19_B      S    19_B     0.516     0    0.054   0.097     0.673   95.238   95.238
LGA    L    20_B      L    20_B     0.367     0    0.015   1.100     2.437  100.000   88.810
LGA    G    21_B      G    21_B     0.140     0    0.045   0.045     0.216  100.000  100.000
LGA    L    22_B      L    22_B     0.116     0    0.019   0.116     0.499  100.000  100.000
LGA    S    23_B      S    23_B     0.283     0    0.016   0.096     0.517   97.619   98.413
LGA    C    24_B      C    24_B     0.455     0    0.079   0.152     0.721   97.619   96.825
LGA    A    25_B      A    25_B     0.261     0    0.067   0.079     0.308  100.000  100.000
LGA    A    26_B      A    26_B     0.533     0    0.055   0.068     0.575   90.476   92.381
LGA    S    27_B      S    27_B     0.551     0    0.217   0.320     1.982   86.071   89.127
LGA    G    28_B      G    28_B     0.853     0    0.199   0.199     2.400   81.786   81.786
LGA    R    29_B      R    29_B     0.336     0    0.329   0.780     3.580   95.357   82.511
LGA    T    30_B      T    30_B     0.798     0    0.351   0.395     1.883   86.071   85.374
LGA    F    31_B      F    31_B     0.984     0    0.024   0.072     1.126   88.214   87.186
LGA    S    32_B      S    32_B     0.861     0    0.143   0.145     1.159   88.214   88.968
LGA    N    33_B      N    33_B     0.801     0    0.063   1.089     2.502   88.214   82.976
LGA    Y    34_B      Y    34_B     0.600     0    0.044   0.160     0.972   90.476   90.476
LGA    V    35_B      V    35_B     0.235     0    0.075   0.883     1.998  100.000   92.245
LGA    M    36_B      M    36_B     0.254     0    0.027   0.201     0.509  100.000   98.810
LGA    A    37_B      A    37_B     0.251     0    0.021   0.026     0.357  100.000  100.000
LGA    W    38_B      W    38_B     0.142     0    0.000   0.074     0.518  100.000   99.320
LGA    F    39_B      F    39_B     0.192     0    0.025   0.062     0.465  100.000  100.000
LGA    R    40_B      R    40_B     0.294     0    0.008   0.182     0.735  100.000   99.134
LGA    Q    41_B      Q    41_B     0.409     0    0.018   0.200     1.038   97.619   93.757
LGA    A    42_B      A    42_B     0.499     0    0.000   0.015     0.519   97.619   98.095
LGA    P    43_B      P    43_B     0.556     0    0.083   0.369     0.778   92.857   91.837
LGA    G    44_B      G    44_B     0.813     0    0.089   0.089     0.813   90.476   90.476
LGA    K    45_B      K    45_B     0.662     0    0.090   0.846     2.778   95.238   85.185
LGA    E    46_B      E    46_B     0.508     0    0.054   0.863     2.051   95.238   86.772
LGA    R    47_B      R    47_B     0.483     0    0.022   0.713     1.679  100.000   89.870
LGA    E    48_B      E    48_B     0.256     0    0.027   0.462     1.094  100.000   95.820
LGA    F    49_B      F    49_B     0.177     0    0.025   0.094     0.479  100.000  100.000
LGA    V    50_B      V    50_B     0.202     0    0.020   0.036     0.391  100.000  100.000
LGA    A    51_B      A    51_B     0.184     0    0.030   0.037     0.269  100.000  100.000
LGA    R    52_B      R    52_B     0.278     0    0.033   0.934     4.542  100.000   80.736
LGA    I    53_B      I    53_B     0.309     0    0.036   0.190     0.884   95.238   95.238
LGA    S    54_B      S    54_B     1.200     0    0.238   0.499     2.819   75.476   73.413
LGA    E    55_B      E    55_B     3.322     0    0.249   0.989    10.678   53.810   29.153
LGA    S    56_B      S    56_B     1.269     0    0.385   0.365     4.624   65.119   59.127
LGA    R    57_B      R    57_B     4.192     0    0.004   0.793     7.938   40.952   23.506
LGA    G    58_B      G    58_B     3.355     0    0.078   0.078     4.081   50.357   50.357
LGA    T    59_B      T    59_B     1.700     0    0.110   0.761     3.804   81.667   72.517
LGA    T    60_B      T    60_B     0.536     0    0.069   0.852     2.357   95.238   86.939
LGA    D    61_B      D    61_B     0.353     0    0.029   0.152     0.537  100.000   98.810
LGA    Y    62_B      Y    62_B     0.241     0    0.018   0.065     0.607  100.000   99.206
LGA    A    63_B      A    63_B     0.223     0    0.025   0.027     0.269  100.000  100.000
LGA    D    64_B      D    64_B     0.108     0    0.078   0.343     1.277  100.000   97.679
LGA    S    65_B      S    65_B     0.432     0    0.024   0.054     0.679   97.619   96.825
LGA    V    66_B      V    66_B     0.431     0    0.021   0.139     0.655   95.238   97.279
LGA    K    67_B      K    67_B     0.578     0    0.007   0.782     3.763   90.476   77.037
LGA    G    68_B      G    68_B     0.526     0    0.106   0.106     0.865   90.476   90.476
LGA    R    69_B      R    69_B     0.399     0    0.031   0.053     0.543  100.000   99.134
LGA    F    70_B      F    70_B     0.366     0    0.018   0.123     0.433  100.000  100.000
LGA    T    71_B      T    71_B     0.481     0    0.025   0.127     0.938  100.000   95.918
LGA    I    72_B      I    72_B     0.304     0    0.040   0.153     0.510   97.619   98.810
LGA    S    73_B      S    73_B     0.555     0    0.041   0.102     0.664   97.619   95.238
LGA    R    74_B      R    74_B     0.661     0    0.049   0.896     3.979   90.476   82.251
LGA    D    75_B      D    75_B     1.006     0    0.000   0.636     2.783   88.214   84.107
LGA    N    76_B      N    76_B     0.890     0    0.135   0.129     1.520   83.690   82.619
LGA    A    77_B      A    77_B     1.066     0    0.021   0.020     1.353   83.690   83.238
LGA    K    78_B      K    78_B     1.060     0    0.024   0.735     1.954   85.952   81.534
LGA    N    79_B      N    79_B     0.542     0    0.029   0.433     1.265   95.238   90.595
LGA    T    80_B      T    80_B     0.354     0    0.085   1.251     2.969  100.000   87.755
LGA    I    81_B      I    81_B     0.328     0    0.021   0.388     1.046  100.000   94.107
LGA    Y    82_B      Y    82_B     0.127     0    0.037   0.088     1.093  100.000   94.484
LGA    L    83_B      L    83_B     0.117     0    0.026   0.137     0.468  100.000  100.000
LGA    Q    84_B      Q    84_B     0.370     0    0.029   0.117     1.106  100.000   94.762
LGA    M    85_B      M    85_B     0.319     0    0.084   0.593     1.497   97.619   94.167
LGA    N    86_B      N    86_B     0.359     0    0.000   0.253     1.185  100.000   95.298
LGA    S    87_B      S    87_B     0.552     0    0.000   0.193     1.070   97.619   93.730
LGA    L    88_B      L    88_B     0.387     0    0.077   0.127     0.482  100.000  100.000
LGA    N    89_B      N    89_B     0.702     0    0.009   0.240     0.940   90.476   90.476
LGA    P    90_B      P    90_B     0.673     0    0.051   0.057     0.750   90.476   90.476
LGA    G    91_B      G    91_B     0.598     0    0.014   0.014     0.671   95.238   95.238
LGA    D    92_B      D    92_B     0.457     0    0.000   0.172     0.597   97.619   96.429
LGA    T    93_B      T    93_B     0.425     0    0.019   0.067     0.482  100.000  100.000
LGA    A    94_B      A    94_B     0.376     0    0.052   0.074     0.568  100.000   98.095
LGA    V    95_B      V    95_B     0.175     0    0.010   0.113     0.318  100.000  100.000
LGA    Y    96_B      Y    96_B     0.077     0    0.057   0.078     0.284  100.000  100.000
LGA    S    97_B      S    97_B     0.199     0    0.016   0.049     0.328  100.000  100.000
LGA    C    98_B      C    98_B     0.391     0    0.021   0.056     0.542   97.619   98.413
LGA    A    99_B      A    99_B     0.424     0    0.014   0.031     0.534   97.619   98.095
LGA    A   100_B      A   100_B     0.486     0    0.023   0.041     0.708   95.238   96.190
LGA    T   101_B      T   101_B     0.707     0    0.040   0.103     1.348   95.238   89.320
LGA    L   102_B      L   102_B     0.456     0    0.039   0.227     1.019   92.976   94.107
LGA    P   103_B      P   103_B     1.412     0    0.108   0.335     2.058   77.143   75.374
LGA    A   104_B      A   104_B     2.073     0    0.084   0.101     2.586   64.881   64.857
LGA    W   105_B      W   105_B     1.964     0    0.034   0.195     4.225   70.833   60.034
LGA    T   106_B      T   106_B     1.579     0    0.080   0.113     1.950   72.857   76.531
LGA    G   107_B      G   107_B     1.815     0    0.600   0.600     3.273   67.143   67.143
LGA    I   108_B      I   108_B     4.718     0    0.031   0.242     8.562   32.024   21.905
LGA    I   109_B      I   109_B     5.174     0    0.065   1.018     9.757   40.833   23.155
LGA    G   110_B      G   110_B     1.486     0    0.430   0.430     1.715   79.286   79.286
LGA    G   111_B      G   111_B     0.360     0    0.190   0.190     0.453  100.000  100.000
LGA    R   112_B      R   112_B     0.165     0    0.033   0.416     1.076  100.000   93.983
LGA    R   113_B      R   113_B     0.420     0    0.031   0.177     2.181  100.000   86.753
LGA    P   114_B      P   114_B     0.614     0    0.098   0.361     0.945   92.857   93.197
LGA    G   115_B      G   115_B     0.728     0    0.026   0.026     0.749   90.476   90.476
LGA    N   116_B      N   116_B     0.520     0    0.037   0.190     1.223   97.619   92.917
LGA    Y   117_B      Y   117_B     0.406     0    0.014   0.122     0.864   95.238   98.413
LGA    P   118_B      P   118_B     0.945     0    0.027   0.048     1.154   90.476   87.891
LGA    Y   119_B      Y   119_B     0.534     0    0.018   0.108     0.863   90.476   92.063
LGA    W   120_B      W   120_B     0.589     0    0.079   0.129     0.874   90.476   90.476
LGA    G   121_B      G   121_B     0.590     0    0.014   0.014     0.953   90.476   90.476
LGA    Q   122_B      Q   122_B     1.115     0    0.021   1.598     8.091   85.952   56.455
LGA    G   123_B      G   123_B     0.620     0    0.128   0.128     0.796   92.857   92.857
LGA    T   124_B      T   124_B     0.178     0    0.023   0.201     0.755  100.000   98.639
LGA    Q   125_B      Q   125_B     0.186     0    0.044   0.211     0.735  100.000   96.825
LGA    V   126_B      V   126_B     0.320     0    0.052   0.157     0.633   97.619   97.279
LGA    T   127_B      T   127_B     0.536     0    0.055   0.079     0.865   95.238   93.197
LGA    V   128_B      V   128_B     0.542     0    0.000   0.092     0.670   90.476   91.837
LGA    S   129_B      S   129_B     0.422     0    0.104   0.229     1.353   95.238   92.143

# 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):     1.076          1.101                  1.740           91.752   88.249

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    125    1.08    96.200    98.014    10.634

LGA_LOCAL      RMSD:   1.076  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.076  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.076  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.479371 * X  +  -0.721164 * Y  +   0.500125 * Z  + 127.544609
  Y_new =  -0.844989 * X  +  -0.533205 * Y  +   0.041059 * Z  +   4.578375
  Z_new =   0.237059 * X  +  -0.442283 * Y  +  -0.864979 * Z  + -20.305681 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.054760 -0.239338 -2.668928   [DEG:  -60.4333  -13.7130 -152.9183 ]
ZXZ:  1.652710  2.615905  2.649570   [DEG:   94.6933  149.8803  151.8091 ]
 
# END of job
