
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , 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:   126       7_B - 134_B       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        0.85     1.22
  LCS_AVERAGE:     50.23

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     7_B     E     7_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     74  126  126     73  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     74  126  126     76  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     74  126  126     66  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     74  126  126     60  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     74  126  126     63  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     74  126  126     76  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     74  126  126     82  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     74  126  126     73  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     74  126  126     74  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     74  126  126     79  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     74  126  126     81  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     74  126  126     82  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     74  126  126     57  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     74  126  126     62  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     74  126  126     38  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     74  126  126     34  102  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     74  126  126     42  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     74  126  126     38  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     74  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     74  126  126     81  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     74  126  126     35  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     74  126  126      3   88  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     74  126  126      3    3    4    7  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     74  126  126      3    5   39   73  103  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4  126  126      3    9   14   16   20   26   71  123  124  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     47  126  126      3   13   64  109  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     47  126  126      3   40  111  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     49  126  126     19   80  115  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     49  126  126     79  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     49  126  126     78  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     49  126  126     79  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     49  126  126     46  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     49  126  126     75  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     49  126  126     29  108  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     49  126  126     57  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     49  126  126     77  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     49  126  126     82  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     49  126  126     83  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     49  126  126     82  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     49  126  126     18  104  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     49  126  126      3    5   19  108  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     49  126  126      3    5    7    9   47  122  123  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     49  126  126     12   55  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     49  126  126     15   30  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B     49  126  126     21  112  116  119  121  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  83.41  (  50.23  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     83    112    116    119    121    122    124    125    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.87  88.89  92.06  94.44  96.03  96.83  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.46   0.52   0.61   0.71   0.79   0.94   1.01   1.01   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17
GDT RMS_ALL_AT   1.23   1.22   1.21   1.20   1.20   1.18   1.18   1.18   1.18   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  F   113_B      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.008     0    0.254   1.114     1.998   81.548   80.582
LGA    E     8_B      E     8_B     0.922     0    0.047   1.004     4.340   90.476   71.958
LGA    A     9_B      A     9_B     0.852     0    0.040   0.052     0.894   90.476   90.476
LGA    K    10_B      K    10_B     0.951     0    0.045   0.169     1.049   88.214   88.466
LGA    E    11_B      E    11_B     1.015     0    0.041   0.781     4.884   88.214   70.847
LGA    A    12_B      A    12_B     0.899     0    0.025   0.029     1.020   90.476   88.667
LGA    I    13_B      I    13_B     0.749     0    0.029   0.462     1.253   92.857   89.405
LGA    I    14_B      I    14_B     0.504     0    0.034   0.197     1.291   95.238   91.726
LGA    A    15_B      A    15_B     0.318     0    0.033   0.043     0.363  100.000  100.000
LGA    M    16_B      M    16_B     0.473     0    0.013   0.659     2.007  100.000   87.619
LGA    L    17_B      L    17_B     0.212     0    0.014   1.258     2.978  100.000   89.048
LGA    K    18_B      K    18_B     0.201     0    0.041   0.316     0.863  100.000   98.942
LGA    E    19_B      E    19_B     0.507     0    0.025   0.118     1.109   92.857   90.529
LGA    W    20_B      W    20_B     0.385     0    0.011   0.226     0.853  100.000   98.639
LGA    Y    21_B      Y    21_B     0.359     0    0.018   0.117     0.453  100.000  100.000
LGA    D    22_B      D    22_B     0.454     0    0.021   0.040     0.630   95.238   96.429
LGA    A    23_B      A    23_B     0.616     0    0.017   0.018     0.644   90.476   90.476
LGA    M    24_B      M    24_B     0.488     0    0.036   1.166     2.842   92.857   82.083
LGA    N    25_B      N    25_B     0.532     0    0.029   0.129     0.838   90.476   90.476
LGA    E    26_B      E    26_B     0.586     0    0.019   0.072     0.811   90.476   94.709
LGA    G    27_B      G    27_B     0.799     0    0.009   0.009     0.843   90.476   90.476
LGA    D    28_B      D    28_B     0.789     0    0.007   0.159     1.514   90.476   87.143
LGA    M    29_B      M    29_B     0.654     0    0.066   0.616     1.390   90.476   88.214
LGA    E    30_B      E    30_B     0.616     0    0.037   0.721     1.965   90.476   90.688
LGA    K    31_B      K    31_B     0.597     0    0.031   1.097     6.031   90.476   68.413
LGA    L    32_B      L    32_B     0.406     0    0.022   1.235     2.587  100.000   90.238
LGA    R    33_B      R    33_B     0.397     0    0.047   1.143     3.259  100.000   86.147
LGA    S    34_B      S    34_B     0.299     0    0.045   0.067     0.424  100.000  100.000
LGA    L    35_B      L    35_B     0.187     0    0.026   1.257     2.634  100.000   90.238
LGA    V    36_B      V    36_B     0.318     0    0.019   1.334     2.719  100.000   88.844
LGA    D    37_B      D    37_B     0.365     0    0.010   0.036     0.620  100.000   98.810
LGA    P    38_B      P    38_B     0.133     0    0.007   0.044     0.407  100.000  100.000
LGA    D    39_B      D    39_B     0.179     0    0.012   0.665     1.548  100.000   93.214
LGA    A    40_B      A    40_B     0.331     0    0.025   0.030     0.428  100.000  100.000
LGA    S    41_B      S    41_B     0.728     0    0.100   0.091     0.822   90.476   90.476
LGA    F    42_B      F    42_B     0.600     0    0.050   1.278     8.060   95.238   56.320
LGA    V    43_B      V    43_B     0.453     0    0.042   1.338     2.616   92.857   84.762
LGA    D    44_B      D    44_B     0.690     0    0.044   0.039     1.423   90.476   85.952
LGA    A    45_B      A    45_B     0.401     0    0.103   0.109     0.979   97.619   98.095
LGA    R    46_B      R    46_B     0.805     0    0.036   1.264     4.821   88.214   74.113
LGA    T    47_B      T    47_B     1.226     0    0.023   0.031     1.637   83.690   81.497
LGA    N    48_B      N    48_B     0.803     0    0.018   0.209     2.369   90.476   80.714
LGA    Q    49_B      Q    49_B     0.803     0    0.054   0.647     3.016   92.857   76.614
LGA    V    50_B      V    50_B     0.375     0    0.024   1.349     2.907   97.619   87.483
LGA    Y    51_B      Y    51_B     0.460     0    0.026   0.142     0.787  100.000   96.825
LGA    D    52_B      D    52_B     0.495     0    0.022   0.053     0.620  100.000   97.619
LGA    K    53_B      K    53_B     0.351     0    0.008   0.085     0.577  100.000   98.942
LGA    D    54_B      D    54_B     0.210     0    0.031   0.063     0.455  100.000  100.000
LGA    Q    55_B      Q    55_B     0.271     0    0.041   0.059     0.809  100.000   96.825
LGA    F    56_B      F    56_B     0.232     0    0.014   0.342     1.560  100.000   91.558
LGA    L    57_B      L    57_B     0.379     0    0.014   1.256     2.671   97.619   89.048
LGA    Q    58_B      Q    58_B     0.490     0    0.044   1.599     6.496   97.619   69.577
LGA    M    59_B      M    59_B     0.465     0    0.037   0.165     1.057  100.000   94.107
LGA    I    60_B      I    60_B     0.473     0    0.019   0.202     0.932   97.619   96.429
LGA    K    61_B      K    61_B     0.585     0    0.033   0.347     2.018   92.857   86.720
LGA    E    62_B      E    62_B     0.489     0    0.022   0.131     1.074   97.619   92.646
LGA    A    63_B      A    63_B     0.324     0    0.024   0.033     0.363  100.000  100.000
LGA    L    64_B      L    64_B     0.321     0    0.025   1.239     2.501  100.000   90.238
LGA    E    65_B      E    65_B     0.301     0    0.044   0.223     1.120  100.000   94.762
LGA    Q    66_B      Q    66_B     0.245     0    0.034   0.287     1.475  100.000   95.820
LGA    D    67_B      D    67_B     0.215     0    0.049   0.181     0.594  100.000   98.810
LGA    L    68_B      L    68_B     0.343     0    0.024   0.035     0.413  100.000  100.000
LGA    K    69_B      K    69_B     0.204     0    0.032   0.844     4.371  100.000   86.085
LGA    V    70_B      V    70_B     0.267     0    0.028   0.049     0.389  100.000  100.000
LGA    E    71_B      E    71_B     0.240     0    0.040   0.421     1.031  100.000   96.878
LGA    V    72_B      V    72_B     0.126     0    0.017   1.343     2.708  100.000   88.844
LGA    K    73_B      K    73_B     0.415     0    0.033   0.125     0.586   97.619   96.825
LGA    S    74_B      S    74_B     0.319     0    0.015   0.021     0.348  100.000  100.000
LGA    I    75_B      I    75_B     0.336     0    0.059   0.128     0.878   95.238   97.619
LGA    D    76_B      D    76_B     0.874     0    0.037   1.072     4.904   90.476   76.726
LGA    I    77_B      I    77_B     1.274     0    0.049   0.136     2.056   77.143   75.060
LGA    E    78_B      E    78_B     1.875     0    0.621   1.034     3.142   67.262   68.624
LGA    Q    79_B      Q    79_B     3.308     0    0.012   1.217    11.733   45.833   23.439
LGA    Q    80_B      Q    80_B     4.526     0    0.016   1.621     9.435   49.524   27.778
LGA    P    81_B      P    81_B     6.854     0    0.701   0.595    11.183   19.762   11.565
LGA    D    82_B      D    82_B     3.678     0    0.068   0.123     6.049   51.071   40.893
LGA    G    83_B      G    83_B     2.437     0    0.482   0.482     2.437   70.952   70.952
LGA    D    84_B      D    84_B     2.075     0    0.173   1.147     4.110   73.095   59.940
LGA    V    85_B      V    85_B     0.284     0    0.017   1.324     2.990   97.619   87.483
LGA    V    86_B      V    86_B     0.566     0    0.068   0.978     2.909   97.619   88.503
LGA    I    87_B      I    87_B     0.455     0    0.053   0.620     1.612   97.619   90.714
LGA    V    88_B      V    88_B     0.427     0    0.062   1.307     2.816  100.000   88.844
LGA    K    89_B      K    89_B     0.466     0    0.054   0.368     1.708  100.000   91.746
LGA    V    90_B      V    90_B     0.223     0    0.014   1.337     2.550  100.000   88.844
LGA    K    91_B      K    91_B     0.227     0    0.023   0.216     0.571  100.000   97.884
LGA    V    92_B      V    92_B     0.138     0    0.031   1.109     2.371  100.000   89.932
LGA    R    93_B      R    93_B     0.235     0    0.061   0.693     2.959  100.000   92.684
LGA    A    94_B      A    94_B     0.343     0    0.034   0.041     0.343  100.000  100.000
LGA    T    95_B      T    95_B     0.364     0    0.042   0.041     0.493  100.000  100.000
LGA    M    96_B      M    96_B     0.399     0    0.024   0.810     2.391  100.000   93.214
LGA    V    97_B      V    97_B     0.414     0    0.069   1.334     2.580  100.000   88.844
LGA    R    98_B      R    98_B     0.522     0    0.111   1.408    10.318   92.857   52.035
LGA    Q   101_B      Q   101_B     0.167     0    0.188   1.039     3.096   95.238   87.090
LGA    E   102_B      E   102_B     0.416     0    0.053   0.419     1.690  100.000   93.810
LGA    H   103_B      H   103_B     0.441     0    0.050   0.078     0.828  100.000   94.286
LGA    V   104_B      V   104_B     0.534     0    0.040   1.328     2.642   92.857   82.313
LGA    F   105_B      F   105_B     0.210     0    0.068   0.082     0.374  100.000  100.000
LGA    E   106_B      E   106_B     0.430     0    0.056   1.140     6.026   95.238   68.254
LGA    V   107_B      V   107_B     0.409     0    0.050   1.326     2.939  100.000   87.483
LGA    V   108_B      V   108_B     0.381     0    0.009   1.340     2.628   97.619   87.483
LGA    D   109_B      D   109_B     0.425     0    0.037   0.101     0.571   97.619   97.619
LGA    T   110_B      T   110_B     0.469     0    0.011   0.020     0.640  100.000   95.918
LGA    Y   111_B      Y   111_B     0.311     0    0.010   0.046     0.475  100.000  100.000
LGA    E   112_B      E   112_B     0.320     0    0.027   0.165     0.740  100.000   98.942
LGA    F   113_B      F   113_B     0.320     0    0.034   0.172     1.126  100.000   92.338
LGA    R   114_B      R   114_B     0.389     0    0.051   0.976     3.505  100.000   90.563
LGA    R   115_B      R   115_B     0.747     0    0.030   0.727     4.579   90.476   63.853
LGA    K   116_B      K   116_B     0.333     0    0.120   0.572     1.330   97.619   93.757
LGA    G   117_B      G   117_B     0.109     0    0.014   0.014     0.290  100.000  100.000
LGA    D   118_B      D   118_B     0.499     0    0.148   0.980     3.582   90.833   76.845
LGA    S   119_B      S   119_B     1.083     0    0.063   0.099     1.680   90.595   84.683
LGA    W   120_B      W   120_B     0.765     0    0.061   0.125     1.007   90.476   89.830
LGA    K   121_B      K   121_B     0.367     0    0.015   0.078     0.877  100.000   96.825
LGA    I   122_B      I   122_B     0.502     0    0.048   0.070     0.639   92.857   94.048
LGA    V   123_B      V   123_B     0.400     0    0.033   0.048     0.518  100.000   98.639
LGA    K   124_B      K   124_B     0.450     0    0.039   0.134     0.795   97.619   96.825
LGA    L   125_B      L   125_B     0.602     0    0.122   0.135     0.665   90.476   90.476
LGA    V   126_B      V   126_B     0.537     0    0.033   1.340     2.644   90.476   83.401
LGA    S   127_B      S   127_B     0.588     0    0.050   0.631     2.296   90.476   86.190
LGA    E   128_B      E   128_B     0.804     0    0.134   0.750     1.995   95.238   88.624
LGA    I   129_B      I   129_B     1.164     0    0.076   0.122     3.628   79.405   67.500
LGA    T   130_B      T   130_B     3.142     0    0.620   0.997     5.387   46.071   44.354
LGA    Q   131_B      Q   131_B     4.238     0    0.096   1.048    11.764   47.143   23.545
LGA    L   132_B      L   132_B     1.947     0    0.636   1.415     7.861   77.143   46.786
LGA    G   133_B      G   133_B     1.695     0    0.179   0.179     1.695   81.548   81.548
LGA    S   134_B      S   134_B     0.776     0    0.680   0.815     4.504   75.476   65.079

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     1.172          1.107                  2.047           92.471   85.637

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    125    1.01    95.635    97.515    11.277

LGA_LOCAL      RMSD:   1.008  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.175  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.172  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.796227 * X  +  -0.543049 * Y  +   0.266685 * Z  +  12.482980
  Y_new =  -0.361499 * X  +   0.073587 * Y  +  -0.929464 * Z  +  14.693450
  Z_new =   0.485120 * X  +  -0.836470 * Y  +  -0.254904 * Z  +  28.530767 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.715405 -0.506500 -1.866594   [DEG: -155.5812  -29.0203 -106.9479 ]
ZXZ:  0.279417  1.828545  2.616039   [DEG:   16.0094  104.7679  149.8880 ]
 
# END of job
