
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , 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:   128       1_B - 128_B       1.14     1.14
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.14     1.14
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       0.92     1.15
  LCS_AVERAGE:     69.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_B     Q     1_B    104  128  128     82  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B    104  128  128     82  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B    104  128  128     43  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B    104  128  128     57  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B    104  128  128     77  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B    104  128  128     59  105  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B    104  128  128      9  105  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B    104  128  128      3    3    3    3   20  108  123  126  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B    104  128  128      3   13  108  118  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B    104  128  128      3   52  114  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B    104  128  128      5  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B    104  128  128      6  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B    104  128  128     57  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B    104  128  128     14  100  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B    104  128  128      5   80  113  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B    104  128  128     11  104  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B    104  128  128     61  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B    104  128  128     82  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B    104  128  128     58  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B    104  128  128     71  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B    104  128  128     37  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B    104  128  128     37  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B    104  128  128     65  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B    104  128  128     76  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B    104  128  128     65  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B    104  128  128     67  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B    104  128  128     62  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B    104  128  128     62  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B    104  128  128     62  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B    104  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B    104  128  128     75  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B    104  128  128      7   97  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B    104  128  128     26  104  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B    104  128  128      4   58  114  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B    104  128  128      4    5   17  119  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B    104  128  128      4    5   37   93  105  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     76  128  128      4   16   38   62  111  121  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      5  128  128      6   28  100  118  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      5  128  128      4   14   38   62  111  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      5  128  128      4   20   40   70  115  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128     71  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     44  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     35  103  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128      7   71  115  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     71  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     31  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     83  109  116  120  122  123  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  89.67  (  69.01  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     83    109    116    120    122    123    126    127    128    128    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  64.84  85.16  90.62  93.75  95.31  96.09  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.48   0.57   0.66   0.76   0.79   1.01   1.08   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14
GDT RMS_ALL_AT   1.18   1.15   1.16   1.16   1.15   1.15   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14   1.14

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.597     0    0.060   0.399     1.693   90.476   87.513
LGA    V     2_B      V     2_B     0.625     0    0.051   0.074     0.986   90.476   90.476
LGA    Q     3_B      Q     3_B     0.435     0    0.036   1.185     4.622  100.000   80.476
LGA    L     4_B      L     4_B     0.356     0    0.034   0.101     0.601  100.000   98.810
LGA    V     5_B      V     5_B     0.461     0    0.021   0.117     0.943   97.619   94.558
LGA    E     6_B      E     6_B     0.106     0    0.069   0.098     0.332  100.000  100.000
LGA    S     7_B      S     7_B     0.201     0    0.021   0.047     0.305  100.000  100.000
LGA    G     8_B      G     8_B     0.311     0    0.028   0.028     0.542   97.619   97.619
LGA    G     9_B      G     9_B     0.281     0    0.089   0.089     0.592   97.619   97.619
LGA    G    10_B      G    10_B     0.687     0    0.031   0.031     0.687   95.238   95.238
LGA    S    11_B      S    11_B     0.563     0    0.152   0.758     1.961   88.452   86.190
LGA    V    12_B      V    12_B     0.423     0    0.106   0.188     0.815   97.619   95.918
LGA    Q    13_B      Q    13_B     0.508     0    0.023   0.855     2.081   95.238   86.772
LGA    A    14_B      A    14_B     0.387     0    0.048   0.085     0.635  100.000   98.095
LGA    G    15_B      G    15_B     0.233     0    0.107   0.107     0.723   97.619   97.619
LGA    G    16_B      G    16_B     0.367     0    0.025   0.025     0.367  100.000  100.000
LGA    S    17_B      S    17_B     0.386     0    0.007   0.075     0.539  100.000   98.413
LGA    L    18_B      L    18_B     0.261     0    0.018   0.111     0.567  100.000   98.810
LGA    R    19_B      R    19_B     0.202     0    0.022   0.732     2.826  100.000   93.550
LGA    L    20_B      L    20_B     0.190     0    0.011   0.052     0.321  100.000  100.000
LGA    S    21_B      S    21_B     0.487     0    0.026   0.711     2.284   95.238   89.365
LGA    C    22_B      C    22_B     0.872     0    0.057   0.084     1.290   88.214   87.460
LGA    A    23_B      A    23_B     0.929     0    0.057   0.082     1.002   90.476   88.667
LGA    A    24_B      A    24_B     0.433     0    0.038   0.037     0.611   97.619   96.190
LGA    S    25_B      S    25_B     0.193     0    0.022   0.066     1.046   92.976   92.143
LGA    G    26_B      G    26_B     1.447     0    0.674   0.674     3.761   72.024   72.024
LGA    Y    27_B      Y    27_B     1.428     0    0.611   1.106    11.460   64.286   33.968
LGA    T    28_B      T    28_B     4.126     0    0.232   0.228     6.772   44.167   32.041
LGA    Y    29_B      Y    29_B     2.582     0    0.668   1.273    14.020   52.143   25.040
LGA    S    30_B      S    30_B     1.955     0    0.112   0.717     2.302   72.857   70.159
LGA    M    31_B      M    31_B     0.914     0    0.159   1.046     3.655   83.810   75.357
LGA    Y    32_B      Y    32_B     0.867     0    0.051   1.473     8.138   90.476   56.905
LGA    C    33_B      C    33_B     0.371     0    0.116   0.294     1.960   90.595   87.619
LGA    M    34_B      M    34_B     0.723     0    0.036   0.863     4.139   92.857   85.000
LGA    G    35_B      G    35_B     1.032     0    0.079   0.079     1.032   88.214   88.214
LGA    W    36_B      W    36_B     0.404     0    0.022   0.051     0.581   97.619   96.599
LGA    F    37_B      F    37_B     0.313     0    0.038   0.094     0.421  100.000  100.000
LGA    R    38_B      R    38_B     0.223     0    0.011   0.128     1.123  100.000   96.580
LGA    Q    39_B      Q    39_B     0.347     0    0.101   0.200     1.730   95.238   89.630
LGA    A    40_B      A    40_B     1.265     0    0.051   0.058     1.400   83.690   83.238
LGA    P    41_B      P    41_B     1.851     0    0.045   0.088     2.550   79.405   72.041
LGA    G    42_B      G    42_B     1.373     0    0.325   0.325     1.557   79.286   79.286
LGA    K    43_B      K    43_B     0.972     0    0.042   0.649     1.524   85.952   83.492
LGA    E    44_B      E    44_B     0.852     0    0.026   0.554     1.762   88.214   86.508
LGA    R    45_B      R    45_B     0.546     0    0.069   0.445     1.542   90.476   89.784
LGA    E    46_B      E    46_B     0.514     0    0.085   0.561     1.971   95.238   85.714
LGA    G    47_B      G    47_B     0.665     0    0.037   0.037     1.261   88.214   88.214
LGA    V    48_B      V    48_B     0.411     0    0.036   0.037     0.492  100.000  100.000
LGA    A    49_B      A    49_B     0.409     0    0.018   0.020     0.475  100.000  100.000
LGA    G    50_B      G    50_B     0.449     0    0.025   0.025     0.511   97.619   97.619
LGA    I    51_B      I    51_B     0.445     0    0.049   0.063     0.695   97.619   94.048
LGA    C    52_B      C    52_B     0.682     0    0.094   0.778     3.166   92.857   85.317
LGA    A    53_B      A    53_B     0.681     0    0.078   0.085     0.812   90.476   90.476
LGA    N    54_B      N    54_B     0.850     0    0.032   0.317     1.940   90.476   84.881
LGA    G    55_B      G    55_B     0.814     0    0.034   0.034     0.840   90.476   90.476
LGA    K    56_B      K    56_B     0.691     0    0.018   0.514     1.533   95.238   91.746
LGA    A    57_B      A    57_B     0.291     0    0.084   0.104     0.762   97.619   98.095
LGA    I    58_B      I    58_B     0.091     0    0.027   0.071     0.327  100.000  100.000
LGA    H    59_B      H    59_B     0.130     0    0.020   1.268     5.989  100.000   68.190
LGA    Y    60_B      Y    60_B     0.133     0    0.047   0.095     0.306  100.000  100.000
LGA    V    61_B      V    61_B     0.234     0    0.038   1.192     2.948  100.000   88.844
LGA    D    62_B      D    62_B     0.344     0    0.013   0.174     0.577   97.619   96.429
LGA    S    63_B      S    63_B     0.546     0    0.057   0.062     0.725   97.619   95.238
LGA    V    64_B      V    64_B     0.208     0    0.051   0.138     0.420  100.000  100.000
LGA    K    65_B      K    65_B     0.335     0    0.026   0.175     0.982  100.000   98.942
LGA    G    66_B      G    66_B     0.595     0    0.029   0.029     0.730   90.476   90.476
LGA    R    67_B      R    67_B     0.425     0    0.017   0.075     0.465  100.000  100.000
LGA    F    68_B      F    68_B     0.319     0    0.020   0.063     0.389  100.000  100.000
LGA    T    69_B      T    69_B     0.259     0    0.032   0.038     0.306  100.000  100.000
LGA    I    70_B      I    70_B     0.257     0    0.029   0.078     0.473  100.000  100.000
LGA    S    71_B      S    71_B     0.130     0    0.048   0.093     0.290  100.000  100.000
LGA    Q    72_B      Q    72_B     0.450     0    0.032   0.825     2.192   95.238   85.767
LGA    D    73_B      D    73_B     0.616     0    0.074   0.192     1.612   92.857   87.202
LGA    N    74_B      N    74_B     0.613     0    0.026   1.009     2.642   90.476   84.107
LGA    A    75_B      A    75_B     0.809     0    0.058   0.054     0.824   90.476   90.476
LGA    K    76_B      K    76_B     0.750     0    0.142   0.260     1.217   88.214   92.646
LGA    N    77_B      N    77_B     0.740     0    0.027   0.319     1.798   90.476   86.012
LGA    T    78_B      T    78_B     0.483     0    0.079   0.105     0.579   97.619   97.279
LGA    V    79_B      V    79_B     0.411     0    0.039   0.956     2.570   97.619   87.483
LGA    Y    80_B      Y    80_B     0.278     0    0.060   0.054     0.685  100.000   97.619
LGA    L    81_B      L    81_B     0.410     0    0.020   0.047     0.490  100.000  100.000
LGA    Q    82_B      Q    82_B     0.305     0    0.059   0.169     0.511   97.619   97.884
LGA    M    83_B      M    83_B     0.322     0    0.074   0.630     2.395  100.000   95.595
LGA    N    84_B      N    84_B     0.276     0    0.025   0.191     1.015  100.000   95.298
LGA    S    85_B      S    85_B     0.151     0    0.046   0.092     0.351  100.000  100.000
LGA    L    86_B      L    86_B     0.090     0    0.035   0.056     0.204  100.000  100.000
LGA    K    87_B      K    87_B     0.165     0    0.012   0.119     0.943  100.000   97.884
LGA    P    88_B      P    88_B     0.351     0    0.008   0.044     0.508  100.000   98.639
LGA    E    89_B      E    89_B     0.439     0    0.062   0.344     0.959  100.000   96.825
LGA    D    90_B      D    90_B     0.174     0    0.019   0.052     0.308  100.000  100.000
LGA    T    91_B      T    91_B     0.190     0    0.081   0.111     0.555   97.619   98.639
LGA    A    92_B      A    92_B     0.144     0    0.025   0.040     0.261  100.000  100.000
LGA    M    93_B      M    93_B     0.158     0    0.008   1.046     2.263  100.000   91.012
LGA    Y    94_B      Y    94_B     0.197     0    0.026   0.063     0.332  100.000  100.000
LGA    Y    95_B      Y    95_B     0.225     0    0.017   0.097     0.409  100.000  100.000
LGA    C    96_B      C    96_B     0.426     0    0.049   0.679     2.391  100.000   92.540
LGA    A    97_B      A    97_B     0.371     0    0.029   0.036     0.700   95.238   96.190
LGA    A    98_B      A    98_B     0.617     0    0.091   0.113     0.711   92.857   92.381
LGA    D    99_B      D    99_B     1.115     0    0.072   0.640     1.969   81.429   80.417
LGA    S   100_B      S   100_B     1.789     0    0.054   0.229     2.700   77.143   71.746
LGA    R   101_B      R   101_B     1.273     0    0.635   0.749     3.599   69.762   74.069
LGA    G   102_B      G   102_B     2.000     0    0.601   0.601     3.049   65.119   65.119
LGA    G   103_B      G   103_B     2.880     0    0.054   0.054     2.880   62.976   62.976
LGA    I   104_B      I   104_B     3.549     0    0.080   0.641     8.455   51.905   35.298
LGA    W   105_B      W   105_B     4.463     0    0.094   0.792     9.880   34.762   15.034
LGA    Y   106_B      Y   106_B     2.769     0    0.149   1.200    10.985   44.167   29.286
LGA    E   107_B      E   107_B     4.611     0    0.124   0.592     8.629   36.190   22.011
LGA    Q   108_B      Q   108_B     3.583     0    0.124   0.395     8.847   53.810   31.852
LGA    Q   109_B      Q   109_B     0.605     0    0.075   1.110     3.798   79.524   69.841
LGA    L   110_B      L   110_B     0.860     0    0.123   0.167     1.483   88.214   84.821
LGA    S   111_B      S   111_B     0.882     0    0.136   0.475     1.661   88.214   86.032
LGA    T   112_B      T   112_B     0.688     0    0.017   0.046     1.185   85.952   89.252
LGA    L   113_B      L   113_B     1.593     0    0.110   0.180     2.501   75.000   68.929
LGA    R   114_B      R   114_B     2.055     0    0.058   1.420     8.209   68.810   45.974
LGA    Y   115_B      Y   115_B     0.891     0    0.047   0.155     1.136   85.952   82.937
LGA    N   116_B      N   116_B     0.697     0    0.013   0.983     2.528   90.476   85.179
LGA    Y   117_B      Y   117_B     0.406     0    0.028   0.172     1.466  100.000   91.429
LGA    W   118_B      W   118_B     0.271     0    0.032   0.098     0.726  100.000   96.599
LGA    G   119_B      G   119_B     0.274     0    0.015   0.015     0.274  100.000  100.000
LGA    Q   120_B      Q   120_B     0.412     0    0.047   1.040     2.989  100.000   87.037
LGA    G   121_B      G   121_B     0.198     0    0.026   0.026     0.198  100.000  100.000
LGA    T   122_B      T   122_B     0.161     0    0.014   0.054     0.237  100.000  100.000
LGA    Q   123_B      Q   123_B     0.142     0    0.038   0.114     0.396  100.000  100.000
LGA    V   124_B      V   124_B     0.219     0    0.034   0.054     0.342  100.000  100.000
LGA    T   125_B      T   125_B     0.266     0    0.050   0.503     1.262  100.000   94.694
LGA    V   126_B      V   126_B     0.300     0    0.023   0.028     0.419  100.000  100.000
LGA    S   127_B      S   127_B     0.601     0    0.066   0.620     2.644   90.476   84.921
LGA    S   128_B      S   128_B     0.747     0    0.061   0.600     2.788   90.476   84.921

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.135          1.175                  2.187           90.875   86.731

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    127    1.08    94.531    97.012    10.763

LGA_LOCAL      RMSD:   1.080  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.136  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.135  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.022199 * X  +  -0.920631 * Y  +   0.389802 * Z  +  32.709309
  Y_new =   0.954656 * X  +  -0.135302 * Y  +  -0.265189 * Z  +  -9.427794
  Z_new =   0.296882 * X  +   0.366239 * Y  +   0.881890 * Z  +  25.602486 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.594046 -0.301426  0.393617   [DEG:   91.3321  -17.2704   22.5526 ]
ZXZ:  0.973403  0.490941  0.681185   [DEG:   55.7719   28.1288   39.0290 ]
 
# END of job
