
#######################################################
#                                                     #
#                        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       1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        0.86     1.18
  LCS_AVERAGE:     50.90

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     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     74  126  126     59  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     74  126  126     59  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     74  126  126     62  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     74  126  126     82  114  119  121  122  124  125  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  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     74  126  126     55  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     74  126  126     69  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     74  126  126     69  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     74  126  126     74  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     74  126  126     73  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     74  126  126     44  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     74  126  126     66  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     74  126  126     62  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     74  126  126     72  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     74  126  126     62  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     74  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     74  126  126     31  112  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     74  126  126     14   82  119  121  122  124  125  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  123  125  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    4   45   56  114  124  125  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   13   20   29   35   47  113  120  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     51  126  126      3    5   45   57  120  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     51  126  126      3   16   26  102  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     51  126  126     11   39  113  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     51  126  126     44  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     51  126  126     64  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     51  126  126     12  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     51  126  126     59  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     51  126  126     63  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     51  126  126     44  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     51  126  126      5  108  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     51  126  126     44  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     51  126  126     78  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     51  126  126     77  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     51  126  126     79  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     51  126  126     82  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     51  126  126     36  112  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B     51  126  126     27   86  118  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  83.63  (  50.90  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     82    114    119    121    122    124    125    125    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.08  90.48  94.44  96.03  96.83  98.41  99.21  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   0.49   0.55   0.63   0.69   0.89   0.93   0.93   0.93   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12
GDT RMS_ALL_AT   1.21   1.16   1.16   1.15   1.15   1.13   1.13   1.13   1.13   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12

# Checking swapping
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  E    30_B      E    30_B
#   possible swapping detected:  D    37_B      D    37_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:  E    78_B      E    78_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
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.158     0    0.221   0.990     4.975   81.548   63.122
LGA    E     8_B      E     8_B     0.870     0    0.063   1.036     4.760   90.476   70.582
LGA    A     9_B      A     9_B     0.652     0    0.039   0.052     0.715   90.476   90.476
LGA    K    10_B      K    10_B     0.774     0    0.049   0.146     1.000   90.476   90.476
LGA    E    11_B      E    11_B     0.862     0    0.039   0.651     4.084   90.476   73.492
LGA    A    12_B      A    12_B     0.833     0    0.025   0.024     1.000   90.476   90.476
LGA    I    13_B      I    13_B     0.703     0    0.020   0.456     1.194   92.857   90.536
LGA    I    14_B      I    14_B     0.507     0    0.034   0.655     2.143   95.238   90.833
LGA    A    15_B      A    15_B     0.414     0    0.032   0.041     0.479  100.000  100.000
LGA    M    16_B      M    16_B     0.653     0    0.012   0.639     1.986   92.857   85.060
LGA    L    17_B      L    17_B     0.291     0    0.015   1.259     3.022  100.000   88.155
LGA    K    18_B      K    18_B     0.128     0    0.031   0.246     0.461  100.000  100.000
LGA    E    19_B      E    19_B     0.607     0    0.017   0.843     2.225   92.857   84.709
LGA    W    20_B      W    20_B     0.623     0    0.026   0.213     0.868   90.476   93.878
LGA    Y    21_B      Y    21_B     0.554     0    0.024   0.159     0.643   90.476   96.825
LGA    D    22_B      D    22_B     0.545     0    0.023   0.042     0.750   90.476   95.238
LGA    A    23_B      A    23_B     0.781     0    0.027   0.029     0.810   90.476   90.476
LGA    M    24_B      M    24_B     0.872     0    0.031   0.620     2.209   90.476   86.131
LGA    N    25_B      N    25_B     0.823     0    0.044   0.062     1.045   90.476   89.345
LGA    E    26_B      E    26_B     0.722     0    0.042   0.308     0.994   90.476   92.593
LGA    G    27_B      G    27_B     0.808     0    0.030   0.030     0.875   90.476   90.476
LGA    D    28_B      D    28_B     0.821     0    0.018   0.119     1.504   90.476   87.143
LGA    M    29_B      M    29_B     0.623     0    0.046   0.616     1.555   90.476   88.274
LGA    E    30_B      E    30_B     0.772     0    0.032   0.715     2.439   90.476   87.619
LGA    K    31_B      K    31_B     0.749     0    0.031   1.119     6.426   90.476   67.831
LGA    L    32_B      L    32_B     0.380     0    0.029   1.247     2.554   97.619   89.048
LGA    R    33_B      R    33_B     0.506     0    0.052   1.112     2.472   97.619   85.195
LGA    S    34_B      S    34_B     0.432     0    0.049   0.079     0.585   97.619   98.413
LGA    L    35_B      L    35_B     0.241     0    0.011   1.260     2.747  100.000   90.238
LGA    V    36_B      V    36_B     0.188     0    0.030   1.336     2.571  100.000   88.844
LGA    D    37_B      D    37_B     0.328     0    0.007   0.097     0.471  100.000  100.000
LGA    P    38_B      P    38_B     0.249     0    0.028   0.093     0.295  100.000  100.000
LGA    D    39_B      D    39_B     0.311     0    0.012   0.609     1.599  100.000   94.286
LGA    A    40_B      A    40_B     0.190     0    0.028   0.026     0.273  100.000  100.000
LGA    S    41_B      S    41_B     0.218     0    0.103   0.115     0.379  100.000  100.000
LGA    F    42_B      F    42_B     0.388     0    0.055   0.133     0.474  100.000  100.000
LGA    V    43_B      V    43_B     0.476     0    0.027   1.339     2.840   95.238   84.762
LGA    D    44_B      D    44_B     0.624     0    0.057   0.152     1.024   90.476   89.345
LGA    A    45_B      A    45_B     0.605     0    0.070   0.071     1.092   88.214   88.667
LGA    R    46_B      R    46_B     0.419     0    0.042   0.989     4.634   95.238   74.848
LGA    T    47_B      T    47_B     0.841     0    0.016   0.049     1.193   90.476   87.891
LGA    N    48_B      N    48_B     0.533     0    0.044   1.112     3.639   97.619   87.024
LGA    Q    49_B      Q    49_B     0.472     0    0.050   1.174     4.259  100.000   77.354
LGA    V    50_B      V    50_B     0.437     0    0.025   1.352     2.653   97.619   85.034
LGA    Y    51_B      Y    51_B     0.552     0    0.016   0.180     1.421   92.857   88.254
LGA    D    52_B      D    52_B     0.540     0    0.026   0.138     1.158   95.238   91.726
LGA    K    53_B      K    53_B     0.417     0    0.009   0.074     0.575  100.000   98.942
LGA    D    54_B      D    54_B     0.432     0    0.013   0.227     0.971  100.000   98.810
LGA    Q    55_B      Q    55_B     0.538     0    0.032   0.171     1.201   95.238   93.704
LGA    F    56_B      F    56_B     0.465     0    0.013   0.109     1.114   97.619   92.294
LGA    L    57_B      L    57_B     0.553     0    0.007   1.253     2.902   92.857   84.286
LGA    Q    58_B      Q    58_B     0.685     0    0.028   1.661     6.691   90.476   66.561
LGA    M    59_B      M    59_B     0.545     0    0.033   0.249     0.709   90.476   91.667
LGA    I    60_B      I    60_B     0.599     0    0.011   0.177     1.154   90.476   90.536
LGA    K    61_B      K    61_B     0.723     0    0.038   0.366     2.629   90.476   82.063
LGA    E    62_B      E    62_B     0.499     0    0.018   0.090     0.730   97.619   94.709
LGA    A    63_B      A    63_B     0.363     0    0.029   0.037     0.413  100.000  100.000
LGA    L    64_B      L    64_B     0.520     0    0.040   1.245     2.797   92.857   85.476
LGA    E    65_B      E    65_B     0.531     0    0.076   0.437     1.525   97.619   90.688
LGA    Q    66_B      Q    66_B     0.487     0    0.058   0.215     1.014   95.238   93.704
LGA    D    67_B      D    67_B     0.428     0    0.046   0.822     2.815  100.000   87.857
LGA    L    68_B      L    68_B     0.278     0    0.012   0.043     0.425  100.000  100.000
LGA    K    69_B      K    69_B     0.357     0    0.034   0.821     4.974  100.000   81.587
LGA    V    70_B      V    70_B     0.403     0    0.025   0.076     0.808   97.619   95.918
LGA    E    71_B      E    71_B     0.343     0    0.043   0.251     0.968  100.000   96.825
LGA    V    72_B      V    72_B     0.284     0    0.036   1.339     2.633  100.000   88.844
LGA    K    73_B      K    73_B     0.388     0    0.036   0.494     1.226  100.000   94.815
LGA    S    74_B      S    74_B     0.476     0    0.022   0.036     0.540  100.000   96.825
LGA    I    75_B      I    75_B     0.578     0    0.069   0.131     1.040   88.214   89.345
LGA    D    76_B      D    76_B     0.785     0    0.079   0.438     1.894   90.476   86.012
LGA    I    77_B      I    77_B     1.212     0    0.125   0.160     2.055   79.286   77.202
LGA    E    78_B      E    78_B     1.689     0    0.577   0.869     3.465   71.071   65.132
LGA    Q    79_B      Q    79_B     3.310     0    0.021   1.188    11.784   45.833   23.386
LGA    Q    80_B      Q    80_B     4.501     0    0.049   1.610     9.353   47.619   27.196
LGA    P    81_B      P    81_B     7.151     0    0.686   0.595    11.374   16.548    9.728
LGA    D    82_B      D    82_B     4.253     0    0.085   0.512     5.357   44.405   37.976
LGA    G    83_B      G    83_B     2.857     0    0.490   0.490     2.921   62.976   62.976
LGA    D    84_B      D    84_B     2.641     0    0.249   0.352     4.423   67.143   52.917
LGA    V    85_B      V    85_B     0.889     0    0.032   1.313     3.632   88.214   78.639
LGA    V    86_B      V    86_B     0.497     0    0.074   0.979     2.858   97.619   87.279
LGA    I    87_B      I    87_B     0.457     0    0.046   0.128     0.980   95.238   92.857
LGA    V    88_B      V    88_B     0.507     0    0.042   1.317     2.600   97.619   85.034
LGA    K    89_B      K    89_B     0.497     0    0.071   0.631     3.684   97.619   77.354
LGA    V    90_B      V    90_B     0.334     0    0.018   1.334     2.760  100.000   88.844
LGA    K    91_B      K    91_B     0.281     0    0.032   0.199     0.716  100.000   96.825
LGA    V    92_B      V    92_B     0.046     0    0.046   1.153     2.483  100.000   88.571
LGA    R    93_B      R    93_B     0.280     0    0.026   0.883     4.618  100.000   84.978
LGA    A    94_B      A    94_B     0.362     0    0.024   0.028     0.415  100.000  100.000
LGA    T    95_B      T    95_B     0.175     0    0.032   0.039     0.371  100.000  100.000
LGA    M    96_B      M    96_B     0.319     0    0.034   0.773     2.395  100.000   92.083
LGA    V    97_B      V    97_B     0.164     0    0.078   1.338     2.738   97.619   87.483
LGA    R    98_B      R    98_B     0.123     0    0.174   1.487    10.483   95.238   55.108
LGA    Q   101_B      Q   101_B     0.248     0    0.208   0.947     4.468   95.238   75.926
LGA    E   102_B      E   102_B     0.328     0    0.029   0.293     1.066   97.619   94.762
LGA    H   103_B      H   103_B     0.351     0    0.070   0.254     1.317  100.000   95.333
LGA    V   104_B      V   104_B     0.376     0    0.020   1.327     2.868  100.000   87.483
LGA    F   105_B      F   105_B     0.138     0    0.037   0.079     0.394  100.000  100.000
LGA    E   106_B      E   106_B     0.166     0    0.027   0.873     3.021  100.000   84.709
LGA    V   107_B      V   107_B     0.249     0    0.034   1.329     2.671  100.000   88.844
LGA    V   108_B      V   108_B     0.304     0    0.015   1.350     2.754  100.000   88.844
LGA    D   109_B      D   109_B     0.499     0    0.042   0.140     0.619   95.238   96.429
LGA    T   110_B      T   110_B     0.564     0    0.026   0.050     0.991   97.619   94.558
LGA    Y   111_B      Y   111_B     0.253     0    0.028   0.064     0.446  100.000  100.000
LGA    E   112_B      E   112_B     0.198     0    0.046   0.296     1.342  100.000   96.878
LGA    F   113_B      F   113_B     0.178     0    0.031   0.168     1.118  100.000   93.160
LGA    R   114_B      R   114_B     0.498     0    0.029   1.130     3.606   95.238   85.541
LGA    R   115_B      R   115_B     1.178     0    0.029   0.678     4.758   85.952   60.649
LGA    K   116_B      K   116_B     0.589     0    0.130   0.711     1.479   90.476   88.519
LGA    G   117_B      G   117_B     0.615     0    0.036   0.036     0.810   90.476   90.476
LGA    D   118_B      D   118_B     0.911     0    0.110   0.429     1.771   83.810   86.012
LGA    S   119_B      S   119_B     1.309     0    0.067   0.112     1.664   88.214   84.524
LGA    W   120_B      W   120_B     0.898     0    0.047   0.118     1.276   88.214   83.367
LGA    K   121_B      K   121_B     0.345     0    0.019   0.087     0.580   97.619   96.825
LGA    I   122_B      I   122_B     0.443     0    0.030   0.078     0.482  100.000  100.000
LGA    V   123_B      V   123_B     0.247     0    0.037   0.055     0.412  100.000  100.000
LGA    K   124_B      K   124_B     0.247     0    0.032   0.125     0.572  100.000   97.884
LGA    L   125_B      L   125_B     0.276     0    0.130   0.152     0.329  100.000  100.000
LGA    V   126_B      V   126_B     0.354     0    0.034   1.333     2.672  100.000   88.844
LGA    S   127_B      S   127_B     0.375     0    0.061   0.140     0.477  100.000  100.000
LGA    E   128_B      E   128_B     0.695     0    0.148   0.672     2.627   92.857   82.910
LGA    I   129_B      I   129_B     0.518     0    0.058   0.121     1.143   90.476   89.345
LGA    T   130_B      T   130_B     0.650     0    0.019   0.042     1.007   90.476   89.184
LGA    Q   131_B      Q   131_B     0.684     0    0.065   0.915     3.723   90.476   83.228
LGA    L   132_B      L   132_B     0.623     0    0.071   1.242     2.648   88.214   83.155
LGA    G   133_B      G   133_B     1.239     0    0.183   0.183     1.239   92.976   92.976
LGA    S   134_B      S   134_B     1.840     0    0.733   0.887     5.609   75.238   58.968

# 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):     1.124          1.049                  1.845           92.595   86.326

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    125    0.93    96.429    98.124    12.087

LGA_LOCAL      RMSD:   0.934  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.128  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.124  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.839702 * X  +  -0.297824 * Y  +  -0.454095 * Z  +  11.716875
  Y_new =   0.464547 * X  +   0.827010 * Y  +   0.316624 * Z  +  13.403481
  Z_new =   0.281243 * X  +  -0.476818 * Y  +   0.832795 * Z  +  24.607925 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.505319 -0.285089 -0.519993   [DEG:   28.9526  -16.3344  -29.7934 ]
ZXZ: -2.179684  0.586659  2.608683   [DEG: -124.8867   33.6131  149.4665 ]
 
# END of job
