
#######################################################
#                                                     #
#                        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       1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.03     1.03
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   120      12_B - 133_B       1.00     1.04
  LCS_AVERAGE:     93.38

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     75  126  126     58  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     75  126  126     60  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     75  126  126     60  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     75  126  126     50  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     75  126  126     41  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B    120  126  126     47  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B    120  126  126     72  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B    120  126  126     76  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B    120  126  126     80  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B    120  126  126     57  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B    120  126  126     23  108  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B    120  126  126     24  108  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B    120  126  126     75  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B    120  126  126     39  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B    120  126  126     23  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B    120  126  126     39  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B    120  126  126     23  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B    120  126  126     69  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B    120  126  126     33  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B    120  126  126      4   84  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B    120  126  126      3    5   30   93  106  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B    120  126  126      3    3    4   53   73  104  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B    120  126  126      3   10   60   96  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B    120  126  126      3    6   36   50   79  122  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B    120  126  126      3   24   36   52   97  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B    120  126  126      3   24   51   75  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B    120  126  126     23  108  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B    120  126  126     27  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B    120  126  126     80  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B    120  126  126     76  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B    120  126  126     57  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B    120  126  126     25  108  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B    120  126  126     46  110  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B    120  126  126     11  103  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B    120  126  126     44  108  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B    120  126  126     81  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B    120  126  126     71  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B    120  126  126     79  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B    120  126  126     79  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B    120  126  126     82  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B    120  126  126     36  111  118  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B     50  126  126      3   56  112  120  122  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  97.79  (  93.38  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    111    118    120    122    123    125    126    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.08  88.10  93.65  95.24  96.83  97.62  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.47   0.57   0.62   0.74   0.83   0.98   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03
GDT RMS_ALL_AT   1.10   1.10   1.06   1.07   1.05   1.04   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03   1.03

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_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   102_B      E   102_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     1.411     0    0.226   0.898     3.709   77.262   66.349
LGA    E     8_B      E     8_B     1.162     0    0.031   1.007     4.746   81.429   64.233
LGA    A     9_B      A     9_B     1.222     0    0.042   0.055     1.327   81.429   81.429
LGA    K    10_B      K    10_B     1.224     0    0.051   0.209     1.286   81.429   81.429
LGA    E    11_B      E    11_B     1.193     0    0.037   0.872     4.723   83.690   65.661
LGA    A    12_B      A    12_B     1.158     0    0.027   0.030     1.365   83.690   83.238
LGA    I    13_B      I    13_B     0.946     0    0.028   0.477     1.446   88.214   85.952
LGA    I    14_B      I    14_B     0.596     0    0.035   0.209     1.358   95.238   92.917
LGA    A    15_B      A    15_B     0.496     0    0.035   0.044     0.567   92.857   92.381
LGA    M    16_B      M    16_B     0.731     0    0.020   0.878     4.657   90.476   76.667
LGA    L    17_B      L    17_B     0.324     0    0.014   1.260     3.071  100.000   88.155
LGA    K    18_B      K    18_B     0.302     0    0.031   0.765     2.787   97.619   94.180
LGA    E    19_B      E    19_B     0.698     0    0.032   0.264     1.356   90.476   89.471
LGA    W    20_B      W    20_B     0.591     0    0.017   0.232     1.043   90.476   92.551
LGA    Y    21_B      Y    21_B     0.506     0    0.016   0.121     0.527   90.476   96.825
LGA    D    22_B      D    22_B     0.538     0    0.017   0.035     0.690   90.476   95.238
LGA    A    23_B      A    23_B     0.675     0    0.019   0.020     0.705   90.476   90.476
LGA    M    24_B      M    24_B     0.688     0    0.043   0.593     2.242   90.476   86.131
LGA    N    25_B      N    25_B     0.622     0    0.025   0.046     0.778   90.476   90.476
LGA    E    26_B      E    26_B     0.545     0    0.048   0.091     0.858   90.476   93.651
LGA    G    27_B      G    27_B     0.721     0    0.021   0.021     0.798   90.476   90.476
LGA    D    28_B      D    28_B     0.760     0    0.019   0.145     1.555   90.476   87.143
LGA    M    29_B      M    29_B     0.515     0    0.056   0.596     1.698   90.476   88.274
LGA    E    30_B      E    30_B     0.567     0    0.039   0.999     4.188   90.476   82.751
LGA    K    31_B      K    31_B     0.648     0    0.041   1.080     6.130   90.476   67.831
LGA    L    32_B      L    32_B     0.294     0    0.024   1.230     2.708  100.000   90.238
LGA    R    33_B      R    33_B     0.506     0    0.042   1.097     6.048   97.619   75.238
LGA    S    34_B      S    34_B     0.490     0    0.053   0.090     0.691   97.619   95.238
LGA    L    35_B      L    35_B     0.257     0    0.023   1.255     2.615  100.000   90.238
LGA    V    36_B      V    36_B     0.221     0    0.019   1.337     2.570  100.000   88.844
LGA    D    37_B      D    37_B     0.399     0    0.019   0.047     0.673  100.000   95.238
LGA    P    38_B      P    38_B     0.287     0    0.022   0.065     0.468  100.000  100.000
LGA    D    39_B      D    39_B     0.245     0    0.021   0.663     1.792  100.000   94.286
LGA    A    40_B      A    40_B     0.224     0    0.017   0.028     0.259  100.000  100.000
LGA    S    41_B      S    41_B     0.140     0    0.097   0.085     0.245  100.000  100.000
LGA    F    42_B      F    42_B     0.451     0    0.044   0.125     0.632   97.619   96.537
LGA    V    43_B      V    43_B     0.497     0    0.031   1.344     2.847  100.000   87.483
LGA    D    44_B      D    44_B     0.559     0    0.042   0.079     1.132   90.476   89.345
LGA    A    45_B      A    45_B     0.697     0    0.100   0.105     1.411   88.214   88.667
LGA    R    46_B      R    46_B     0.380     0    0.048   1.347     6.129   95.238   69.307
LGA    T    47_B      T    47_B     1.179     0    0.019   0.039     1.450   83.690   82.721
LGA    N    48_B      N    48_B     0.969     0    0.025   0.163     2.765   90.476   77.679
LGA    Q    49_B      Q    49_B     0.632     0    0.052   0.517     2.429   95.238   87.725
LGA    V    50_B      V    50_B     0.382     0    0.025   1.351     2.600   97.619   85.034
LGA    Y    51_B      Y    51_B     0.444     0    0.025   0.082     1.016  100.000   92.897
LGA    D    52_B      D    52_B     0.471     0    0.018   0.040     0.589  100.000   96.429
LGA    K    53_B      K    53_B     0.356     0    0.008   0.066     0.685  100.000   97.884
LGA    D    54_B      D    54_B     0.437     0    0.035   0.107     0.807   97.619   94.048
LGA    Q    55_B      Q    55_B     0.584     0    0.039   0.100     1.111   90.476   89.471
LGA    F    56_B      F    56_B     0.479     0    0.017   0.120     1.359   95.238   88.918
LGA    L    57_B      L    57_B     0.545     0    0.026   1.260     2.650   92.857   86.667
LGA    Q    58_B      Q    58_B     0.700     0    0.038   1.603     6.564   90.476   65.979
LGA    M    59_B      M    59_B     0.687     0    0.033   0.219     0.962   90.476   90.476
LGA    I    60_B      I    60_B     0.719     0    0.019   0.197     1.228   90.476   89.345
LGA    K    61_B      K    61_B     0.758     0    0.026   0.348     2.068   90.476   84.656
LGA    E    62_B      E    62_B     0.515     0    0.012   0.146     0.770   95.238   96.825
LGA    A    63_B      A    63_B     0.449     0    0.021   0.028     0.468  100.000  100.000
LGA    L    64_B      L    64_B     0.519     0    0.026   1.238     2.879   95.238   85.476
LGA    E    65_B      E    65_B     0.422     0    0.035   0.212     1.208  100.000   91.693
LGA    Q    66_B      Q    66_B     0.247     0    0.048   1.019     2.390   97.619   91.111
LGA    D    67_B      D    67_B     0.320     0    0.082   0.139     0.629  100.000   98.810
LGA    L    68_B      L    68_B     0.438     0    0.026   0.050     0.519   97.619   98.810
LGA    K    69_B      K    69_B     0.322     0    0.059   0.808     5.811  100.000   74.127
LGA    V    70_B      V    70_B     0.218     0    0.028   0.078     0.504  100.000   98.639
LGA    E    71_B      E    71_B     0.468     0    0.053   0.446     1.535  100.000   92.751
LGA    V    72_B      V    72_B     0.342     0    0.021   1.340     2.755  100.000   88.844
LGA    K    73_B      K    73_B     0.325     0    0.032   0.140     0.390  100.000  100.000
LGA    S    74_B      S    74_B     0.360     0    0.017   0.025     0.404  100.000  100.000
LGA    I    75_B      I    75_B     0.535     0    0.062   0.128     1.025   90.595   90.536
LGA    D    76_B      D    76_B     0.912     0    0.044   1.038     4.629   90.476   77.679
LGA    I    77_B      I    77_B     1.324     0    0.060   0.161     2.125   77.143   73.988
LGA    E    78_B      E    78_B     1.809     0    0.618   1.007     3.124   67.262   68.624
LGA    Q    79_B      Q    79_B     3.818     0    0.039   1.136    11.953   39.524   20.688
LGA    Q    80_B      Q    80_B     4.052     0    0.301   1.239     8.087   56.071   34.127
LGA    P    81_B      P    81_B     2.653     0    0.216   0.191     5.921   63.929   48.639
LGA    D    82_B      D    82_B     4.190     0    0.297   0.867     5.264   43.452   39.702
LGA    G    83_B      G    83_B     3.896     0    0.104   0.104     4.015   41.786   41.786
LGA    D    84_B      D    84_B     3.152     0    0.128   0.193     4.616   57.738   47.619
LGA    V    85_B      V    85_B     1.122     0    0.049   1.306     3.868   83.810   76.122
LGA    V    86_B      V    86_B     0.237     0    0.054   1.299     3.017  100.000   86.463
LGA    I    87_B      I    87_B     0.448     0    0.053   0.605     1.503   95.238   89.524
LGA    V    88_B      V    88_B     0.598     0    0.051   1.306     2.748   92.857   83.401
LGA    K    89_B      K    89_B     0.595     0    0.048   0.372     1.465   92.857   90.529
LGA    V    90_B      V    90_B     0.423     0    0.013   1.338     2.879  100.000   88.844
LGA    K    91_B      K    91_B     0.199     0    0.031   0.206     0.549  100.000   97.884
LGA    V    92_B      V    92_B     0.133     0    0.042   1.107     2.332  100.000   89.932
LGA    R    93_B      R    93_B     0.229     0    0.035   0.919     5.329  100.000   81.645
LGA    A    94_B      A    94_B     0.082     0    0.010   0.015     0.269  100.000  100.000
LGA    T    95_B      T    95_B     0.275     0    0.032   0.051     0.347  100.000  100.000
LGA    M    96_B      M    96_B     0.400     0    0.035   0.668     2.012  100.000   93.214
LGA    V    97_B      V    97_B     0.150     0    0.058   1.330     2.994   97.619   88.639
LGA    R    98_B      R    98_B     0.898     0    0.132   1.296    10.538   90.595   48.745
LGA    Q   101_B      Q   101_B     0.220     0    0.197   0.978     3.390   95.357   86.138
LGA    E   102_B      E   102_B     0.302     0    0.058   0.586     2.366   97.619   89.947
LGA    H   103_B      H   103_B     0.437     0    0.061   1.135     2.470  100.000   87.429
LGA    V   104_B      V   104_B     0.551     0    0.030   1.328     2.687   95.238   84.762
LGA    F   105_B      F   105_B     0.282     0    0.062   0.076     0.499  100.000  100.000
LGA    E   106_B      E   106_B     0.225     0    0.049   0.987     3.241   97.619   85.397
LGA    V   107_B      V   107_B     0.499     0    0.043   1.332     2.844  100.000   87.483
LGA    V   108_B      V   108_B     0.406     0    0.017   1.349     2.986  100.000   87.483
LGA    D   109_B      D   109_B     0.445     0    0.051   0.112     0.657   95.238   96.429
LGA    T   110_B      T   110_B     0.493     0    0.013   0.016     0.722  100.000   95.918
LGA    Y   111_B      Y   111_B     0.242     0    0.013   0.058     0.460  100.000  100.000
LGA    E   112_B      E   112_B     0.082     0    0.027   0.166     0.662  100.000   98.942
LGA    F   113_B      F   113_B     0.338     0    0.042   0.173     1.184  100.000   91.472
LGA    R   114_B      R   114_B     0.596     0    0.051   0.965     3.814   92.857   85.411
LGA    R   115_B      R   115_B     1.009     0    0.033   0.576     3.796   85.952   66.580
LGA    K   116_B      K   116_B     0.343     0    0.096   0.575     1.443  100.000   94.815
LGA    G   117_B      G   117_B     0.519     0    0.024   0.024     0.519   97.619   97.619
LGA    D   118_B      D   118_B     0.793     0    0.127   0.990     4.032   83.810   70.417
LGA    S   119_B      S   119_B     1.352     0    0.045   0.074     1.964   90.595   84.683
LGA    W   120_B      W   120_B     0.903     0    0.043   0.124     1.697   88.214   79.694
LGA    K   121_B      K   121_B     0.379     0    0.007   0.088     1.570  100.000   91.799
LGA    I   122_B      I   122_B     0.390     0    0.048   0.073     0.576   97.619   98.810
LGA    V   123_B      V   123_B     0.185     0    0.036   0.046     0.381  100.000  100.000
LGA    K   124_B      K   124_B     0.253     0    0.040   0.112     0.484  100.000  100.000
LGA    L   125_B      L   125_B     0.254     0    0.121   0.141     0.464  100.000  100.000
LGA    V   126_B      V   126_B     0.255     0    0.028   1.337     2.574  100.000   88.844
LGA    S   127_B      S   127_B     0.295     0    0.036   0.634     1.873  100.000   95.476
LGA    E   128_B      E   128_B     0.796     0    0.136   0.770     3.026   90.476   78.413
LGA    I   129_B      I   129_B     0.753     0    0.077   0.120     1.251   90.476   89.345
LGA    T   130_B      T   130_B     0.700     0    0.018   0.045     0.744   90.476   90.476
LGA    Q   131_B      Q   131_B     0.712     0    0.038   1.014     3.736   90.476   82.222
LGA    L   132_B      L   132_B     0.624     0    0.089   1.239     2.718   88.214   83.155
LGA    G   133_B      G   133_B     0.972     0    0.178   0.178     0.972   92.857   92.857
LGA    S   134_B      S   134_B     2.391     0    0.741   0.883     6.044   70.952   54.524

# 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):     1.033          0.991                  1.788           92.062   85.607

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    126    1.03    95.833    97.852    11.118

LGA_LOCAL      RMSD:   1.033  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.033  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.033  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.028312 * X  +  -0.737743 * Y  +   0.674488 * Z  +  11.224613
  Y_new =  -0.747856 * X  +   0.432085 * Y  +   0.503998 * Z  +  13.557446
  Z_new =  -0.663257 * X  +  -0.518689 * Y  +  -0.539492 * Z  +  26.541313 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.532957  0.725163 -2.375851   [DEG:  -87.8320   41.5488 -136.1263 ]
ZXZ:  2.212523  2.140630 -2.234485   [DEG:  126.7682  122.6491 -128.0266 ]
 
# END of job
