
#######################################################
#                                                     #
#                        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       1.20     1.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.20     1.20
  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     1.28
  LCS_AVERAGE:     49.06

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     41  108  116  118  120  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     39  108  116  118  120  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     49  109  116  118  120  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     43  109  116  118  120  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     39  109  116  118  120  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     41  109  116  118  120  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     69  109  116  118  120  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     79  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     81  109  116  118  120  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     49  109  116  118  120  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     56  109  116  118  120  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     82  109  116  118  120  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     61  109  116  118  120  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     63  109  116  118  120  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     56  109  116  118  120  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  109  116  118  120  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  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     62  109  116  118  120  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     75  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     81  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     81  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     82  109  116  118  120  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     78  109  116  118  120  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     10   92  116  118  120  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   48  115  118  120  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    4    4   94  119  121  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    4   26   57  114  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    4   12   17   26   67   88  117  123  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     47  126  126      3    5   36   76  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    3   97  115  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     47  126  126     10   80  114  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     47  126  126     71  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     47  126  126      6  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     47  126  126     69  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     47  126  126     75  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     47  126  126     38  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     47  126  126     61  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     47  126  126     65  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     47  126  126     54  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     47  126  126     35  107  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     47  126  126     45  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     47  126  126     82  109  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     47  126  126     23  103  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     47  126  126      3    5    8   45  119  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     46  126  126      3    4    8    9   12  119  123  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     46  126  126     18   72  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      4  126  126      3    9  110  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      3  126  126      9   94  116  118  120  122  124  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  83.02  (  49.06  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    109    116    118    120    122    124    125    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.08  86.51  92.06  93.65  95.24  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    0.31   0.50   0.59   0.63   0.71   0.85   0.97   1.06   1.06   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20
GDT RMS_ALL_AT   1.27   1.23   1.24   1.24   1.23   1.21   1.21   1.21   1.21   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20   1.20

# Checking swapping
#   possible swapping detected:  E    30_B      E    30_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:  E   106_B      E   106_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     1.441     0    0.213   0.942     4.036   77.262   64.127
LGA    E     8_B      E     8_B     1.253     0    0.053   1.005     4.757   81.429   64.021
LGA    A     9_B      A     9_B     1.141     0    0.041   0.053     1.237   81.429   81.429
LGA    K    10_B      K    10_B     1.159     0    0.046   0.159     1.414   81.429   81.429
LGA    E    11_B      E    11_B     1.140     0    0.043   0.626     4.464   83.690   67.831
LGA    A    12_B      A    12_B     1.030     0    0.025   0.028     1.265   85.952   85.048
LGA    I    13_B      I    13_B     0.855     0    0.023   0.448     1.550   90.476   86.012
LGA    I    14_B      I    14_B     0.460     0    0.028   0.235     1.502   97.619   94.226
LGA    A    15_B      A    15_B     0.282     0    0.032   0.040     0.458  100.000  100.000
LGA    M    16_B      M    16_B     0.655     0    0.024   0.632     2.291   95.238   83.214
LGA    L    17_B      L    17_B     0.164     0    0.021   1.260     2.861  100.000   90.238
LGA    K    18_B      K    18_B     0.341     0    0.025   0.305     0.625   97.619   95.767
LGA    E    19_B      E    19_B     0.684     0    0.019   0.664     1.980   92.857   88.571
LGA    W    20_B      W    20_B     0.571     0    0.013   0.194     0.777   90.476   94.558
LGA    Y    21_B      Y    21_B     0.535     0    0.023   0.106     0.687   90.476   96.032
LGA    D    22_B      D    22_B     0.616     0    0.021   0.051     0.799   90.476   90.476
LGA    A    23_B      A    23_B     0.769     0    0.017   0.023     0.813   90.476   90.476
LGA    M    24_B      M    24_B     0.856     0    0.038   0.599     2.066   90.476   86.131
LGA    N    25_B      N    25_B     0.805     0    0.027   0.055     0.972   90.476   90.476
LGA    E    26_B      E    26_B     0.683     0    0.029   0.210     0.928   90.476   94.709
LGA    G    27_B      G    27_B     0.903     0    0.016   0.016     0.923   90.476   90.476
LGA    D    28_B      D    28_B     0.898     0    0.010   0.118     1.467   90.476   88.214
LGA    M    29_B      M    29_B     0.786     0    0.049   0.624     1.379   90.476   89.405
LGA    E    30_B      E    30_B     0.751     0    0.035   0.617     3.094   90.476   82.434
LGA    K    31_B      K    31_B     0.699     0    0.038   1.087     5.825   90.476   68.889
LGA    L    32_B      L    32_B     0.485     0    0.029   1.238     2.544   97.619   89.048
LGA    R    33_B      R    33_B     0.554     0    0.043   1.101     2.589   95.238   85.108
LGA    S    34_B      S    34_B     0.412     0    0.070   0.106     0.549   97.619   98.413
LGA    L    35_B      L    35_B     0.171     0    0.041   1.259     2.524  100.000   89.286
LGA    V    36_B      V    36_B     0.142     0    0.034   1.337     2.572  100.000   88.844
LGA    D    37_B      D    37_B     0.284     0    0.015   0.143     0.842  100.000   97.619
LGA    P    38_B      P    38_B     0.030     0    0.014   0.074     0.314  100.000  100.000
LGA    D    39_B      D    39_B     0.290     0    0.011   0.582     1.722  100.000   94.286
LGA    A    40_B      A    40_B     0.218     0    0.018   0.023     0.267  100.000  100.000
LGA    S    41_B      S    41_B     0.291     0    0.097   0.100     0.411  100.000  100.000
LGA    F    42_B      F    42_B     0.360     0    0.045   0.092     0.466  100.000  100.000
LGA    V    43_B      V    43_B     0.458     0    0.030   1.341     2.850  100.000   88.844
LGA    D    44_B      D    44_B     0.447     0    0.026   0.074     0.749  100.000   95.238
LGA    A    45_B      A    45_B     0.452     0    0.050   0.056     0.851   97.619   96.190
LGA    R    46_B      R    46_B     0.312     0    0.077   1.116     4.118  100.000   80.823
LGA    T    47_B      T    47_B     0.559     0    0.029   0.044     0.782   95.238   93.197
LGA    N    48_B      N    48_B     0.349     0    0.017   0.902     4.047  100.000   81.190
LGA    Q    49_B      Q    49_B     0.448     0    0.049   1.147     4.258  100.000   76.402
LGA    V    50_B      V    50_B     0.471     0    0.030   1.356     2.667   95.238   83.673
LGA    Y    51_B      Y    51_B     0.501     0    0.015   0.200     1.355   92.857   89.841
LGA    D    52_B      D    52_B     0.467     0    0.022   0.105     0.812   97.619   95.238
LGA    K    53_B      K    53_B     0.287     0    0.009   0.079     0.358  100.000  100.000
LGA    D    54_B      D    54_B     0.263     0    0.027   0.279     0.809  100.000   97.619
LGA    Q    55_B      Q    55_B     0.386     0    0.031   0.125     1.000  100.000   96.825
LGA    F    56_B      F    56_B     0.255     0    0.012   0.109     0.889  100.000   95.671
LGA    L    57_B      L    57_B     0.237     0    0.017   1.264     2.564  100.000   90.238
LGA    Q    58_B      Q    58_B     0.500     0    0.039   1.669     6.724   97.619   69.153
LGA    M    59_B      M    59_B     0.434     0    0.044   0.214     0.772   97.619   96.429
LGA    I    60_B      I    60_B     0.430     0    0.019   0.184     0.857  100.000   98.810
LGA    K    61_B      K    61_B     0.490     0    0.030   0.374     2.433  100.000   88.995
LGA    E    62_B      E    62_B     0.421     0    0.022   0.199     0.757  100.000   96.825
LGA    A    63_B      A    63_B     0.358     0    0.026   0.035     0.397  100.000  100.000
LGA    L    64_B      L    64_B     0.382     0    0.027   1.245     2.662  100.000   90.238
LGA    E    65_B      E    65_B     0.383     0    0.088   0.470     1.271  100.000   93.757
LGA    Q    66_B      Q    66_B     0.487     0    0.049   1.043     2.428   95.238   86.878
LGA    D    67_B      D    67_B     0.375     0    0.054   0.777     2.940  100.000   86.845
LGA    L    68_B      L    68_B     0.321     0    0.041   0.054     0.426  100.000  100.000
LGA    K    69_B      K    69_B     0.222     0    0.058   0.760     5.184  100.000   76.984
LGA    V    70_B      V    70_B     0.470     0    0.021   0.039     0.822   95.238   93.197
LGA    E    71_B      E    71_B     0.641     0    0.046   0.305     1.106   90.476   89.471
LGA    V    72_B      V    72_B     0.379     0    0.019   1.340     2.591  100.000   88.844
LGA    K    73_B      K    73_B     0.343     0    0.036   0.178     0.576  100.000   98.942
LGA    S    74_B      S    74_B     0.254     0    0.024   0.032     0.287  100.000  100.000
LGA    I    75_B      I    75_B     0.345     0    0.047   0.107     0.733   95.238   96.429
LGA    D    76_B      D    76_B     0.760     0    0.085   1.074     4.810   90.476   75.714
LGA    I    77_B      I    77_B     1.584     0    0.035   0.555     2.467   72.976   68.869
LGA    E    78_B      E    78_B     2.171     0    0.619   1.047     3.504   61.429   64.233
LGA    Q    79_B      Q    79_B     3.487     0    0.031   1.187    11.803   45.833   23.439
LGA    Q    80_B      Q    80_B     4.108     0    0.030   1.607     9.061   50.952   29.418
LGA    P    81_B      P    81_B     6.596     0    0.690   0.603    10.855   22.024   13.197
LGA    D    82_B      D    82_B     3.638     0    0.086   0.206     6.109   51.071   41.667
LGA    G    83_B      G    83_B     2.497     0    0.458   0.458     2.497   68.810   68.810
LGA    D    84_B      D    84_B     2.227     0    0.193   0.384     4.087   73.095   58.274
LGA    V    85_B      V    85_B     0.503     0    0.050   1.301     3.421   95.238   84.898
LGA    V    86_B      V    86_B     0.447     0    0.067   1.297     2.791   97.619   86.122
LGA    I    87_B      I    87_B     0.501     0    0.051   0.607     1.606   92.857   87.262
LGA    V    88_B      V    88_B     0.549     0    0.044   1.313     2.673   95.238   84.762
LGA    K    89_B      K    89_B     0.518     0    0.052   0.357     1.682   95.238   90.688
LGA    V    90_B      V    90_B     0.296     0    0.019   1.335     2.685  100.000   88.844
LGA    K    91_B      K    91_B     0.159     0    0.042   0.199     0.799  100.000   97.884
LGA    V    92_B      V    92_B     0.160     0    0.050   1.079     2.480  100.000   89.932
LGA    R    93_B      R    93_B     0.403     0    0.025   0.880     5.303  100.000   79.913
LGA    A    94_B      A    94_B     0.293     0    0.025   0.031     0.370  100.000  100.000
LGA    T    95_B      T    95_B     0.349     0    0.017   0.024     0.523  100.000   98.639
LGA    M    96_B      M    96_B     0.607     0    0.051   0.430     1.544   95.238   89.524
LGA    V    97_B      V    97_B     0.498     0    0.064   1.329     2.774   95.238   84.762
LGA    R    98_B      R    98_B     0.766     0    0.098   1.499     9.317   92.857   55.758
LGA    Q   101_B      Q   101_B     0.549     0    0.194   0.245     1.663   90.595   85.556
LGA    E   102_B      E   102_B     0.209     0    0.052   0.580     2.431  100.000   90.899
LGA    H   103_B      H   103_B     0.424     0    0.059   1.144     2.587  100.000   89.333
LGA    V   104_B      V   104_B     0.553     0    0.037   1.327     2.793   92.857   83.401
LGA    F   105_B      F   105_B     0.199     0    0.051   0.081     0.472  100.000  100.000
LGA    E   106_B      E   106_B     0.422     0    0.042   1.409     6.676   97.619   68.889
LGA    V   107_B      V   107_B     0.282     0    0.032   1.323     2.734  100.000   88.844
LGA    V   108_B      V   108_B     0.261     0    0.015   1.344     2.622  100.000   88.844
LGA    D   109_B      D   109_B     0.370     0    0.046   0.111     0.525  100.000   98.810
LGA    T   110_B      T   110_B     0.473     0    0.015   0.030     0.797  100.000   95.918
LGA    Y   111_B      Y   111_B     0.288     0    0.030   0.092     0.763  100.000   98.413
LGA    E   112_B      E   112_B     0.255     0    0.036   0.227     1.016  100.000   94.762
LGA    F   113_B      F   113_B     0.184     0    0.046   0.192     1.388  100.000   91.515
LGA    R   114_B      R   114_B     0.399     0    0.031   1.099     2.946   97.619   87.619
LGA    R   115_B      R   115_B     0.961     0    0.032   0.754     6.321   90.476   59.827
LGA    K   116_B      K   116_B     0.646     0    0.118   0.559     1.452   90.476   88.466
LGA    G   117_B      G   117_B     0.637     0    0.022   0.022     0.822   90.476   90.476
LGA    D   118_B      D   118_B     0.897     0    0.150   0.948     3.910   83.810   71.190
LGA    S   119_B      S   119_B     1.058     0    0.050   0.085     1.250   88.214   85.952
LGA    W   120_B      W   120_B     0.874     0    0.051   0.126     1.231   90.476   84.014
LGA    K   121_B      K   121_B     0.301     0    0.015   0.068     0.491  100.000  100.000
LGA    I   122_B      I   122_B     0.408     0    0.036   0.094     0.583   97.619   97.619
LGA    V   123_B      V   123_B     0.352     0    0.027   0.028     0.472  100.000  100.000
LGA    K   124_B      K   124_B     0.337     0    0.035   0.139     0.711  100.000   97.884
LGA    L   125_B      L   125_B     0.459     0    0.127   0.155     0.603   97.619   95.238
LGA    V   126_B      V   126_B     0.528     0    0.021   1.334     2.594   95.238   86.122
LGA    S   127_B      S   127_B     0.483     0    0.041   0.121     0.497  100.000  100.000
LGA    E   128_B      E   128_B     0.596     0    0.138   0.751     2.195   95.238   86.772
LGA    I   129_B      I   129_B     1.227     0    0.079   0.136     3.622   77.381   67.440
LGA    T   130_B      T   130_B     3.382     0    0.645   0.978     5.617   44.524   40.884
LGA    Q   131_B      Q   131_B     4.639     0    0.102   0.998    12.485   42.262   20.423
LGA    L   132_B      L   132_B     1.569     0    0.626   1.338     7.157   77.143   49.405
LGA    G   133_B      G   133_B     1.703     0    0.261   0.261     1.703   83.810   83.810
LGA    S   134_B      S   134_B     1.852     0    0.691   0.823     5.991   75.476   59.127

# 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):     1.202          1.136                  2.052           91.955   84.838

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    125    1.06    94.841    97.219    10.807

LGA_LOCAL      RMSD:   1.057  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.205  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.202  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.368756 * X  +  -0.735220 * Y  +   0.568745 * Z  +  14.634869
  Y_new =  -0.271506 * X  +   0.670377 * Y  +   0.690564 * Z  +  12.980284
  Z_new =  -0.888990 * X  +   0.100232 * Y  +  -0.446822 * Z  +  26.460663 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.506933  1.095135  2.920923   [DEG: -143.6367   62.7466  167.3566 ]
ZXZ:  2.452630  2.034007 -1.458522   [DEG:  140.5253  116.5400  -83.5672 ]
 
# END of job
