
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       5_B - 103_B       0.88     2.00
  LCS_AVERAGE:     65.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     5_B     Q     5_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     73  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     76  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     72  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     74  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     75  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     75  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     75  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     75  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     74  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125      3   87  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      3    4   35   72  116  117  117  118  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125     31  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125     13  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     73  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     77  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125      6  104  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     76  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     48  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      5   28   95  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125      7  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125     31  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     75  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     75  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     81  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     81  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     17  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     45  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125      4   19  111  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      4    5   14   44   83  115  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      5  125  125      4    5   22   32   47  108  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    5    5    5    6    6    8   12   17   33   91  110  123  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    5    5    5    6    8    9   20   44   66   97  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      3    7   19   37   72  112  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    6   11   17   23   32   48   69  120  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    3    4    7   17   32   88  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    3    4    7   13   98  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     74  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     40  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     31  105  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     34  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     68  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     61  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     56  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     82  111  114  115  116  117  120  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.41  (  65.22  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    114    115    116    117    120    121    121    122    123    123    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  65.60  88.80  91.20  92.00  92.80  93.60  96.00  96.80  96.80  97.60  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.47   0.52   0.57   0.63   0.69   1.19   1.36   1.23   1.39   1.54   1.54   1.72   1.90   1.90   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   2.08   2.03   2.03   2.03   2.01   2.02   1.93   1.92   1.94   1.92   1.92   1.92   1.91   1.90   1.90   1.90   1.90   1.90   1.90   1.90

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  F    39_B      F    39_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.464     0    0.660   1.112     8.623   89.286   52.804
LGA    L     6_B      L     6_B     0.807     0    0.025   0.165     0.938   90.476   90.476
LGA    V     7_B      V     7_B     0.651     0    0.159   0.887     2.637   92.857   84.558
LGA    E     8_B      E     8_B     0.822     0    0.051   0.244     1.042   88.214   89.471
LGA    S     9_B      S     9_B     0.510     0    0.049   0.505     2.098   95.238   89.365
LGA    G    10_B      G    10_B     0.385     0    0.094   0.094     0.436  100.000  100.000
LGA    G    11_B      G    11_B     0.577     0    0.121   0.121     1.695   86.071   86.071
LGA    G    12_B      G    12_B     0.845     0    0.033   0.033     0.845   92.857   92.857
LGA    L    13_B      L    13_B     1.051     0    0.040   0.189     1.929   83.690   81.488
LGA    V    14_B      V    14_B     0.757     0    0.048   0.109     1.034   90.476   89.184
LGA    Q    15_B      Q    15_B     0.459     0    0.017   1.326     5.156   97.619   74.815
LGA    A    16_B      A    16_B     0.474     0    0.048   0.082     0.479  100.000  100.000
LGA    G    17_B      G    17_B     0.537     0    0.030   0.030     0.628   95.238   95.238
LGA    G    18_B      G    18_B     0.317     0    0.076   0.076     0.945   97.619   97.619
LGA    S    19_B      S    19_B     0.496     0    0.064   0.108     0.765   97.619   95.238
LGA    L    20_B      L    20_B     0.345     0    0.020   0.828     3.005   97.619   87.857
LGA    G    21_B      G    21_B     0.240     0    0.094   0.094     0.652   97.619   97.619
LGA    L    22_B      L    22_B     0.300     0    0.021   0.149     0.551  100.000   98.810
LGA    S    23_B      S    23_B     0.484     0    0.024   0.099     0.723   95.238   93.651
LGA    C    24_B      C    24_B     0.697     0    0.068   0.143     1.077   88.214   88.968
LGA    A    25_B      A    25_B     0.667     0    0.065   0.077     0.729   90.476   90.476
LGA    A    26_B      A    26_B     1.044     0    0.038   0.044     1.165   81.429   81.429
LGA    S    27_B      S    27_B     1.080     0    0.115   0.160     2.587   75.357   77.381
LGA    G    28_B      G    28_B     1.740     0    0.576   0.576     4.796   58.929   58.929
LGA    R    29_B      R    29_B     3.719     0    0.468   1.184    12.282   53.690   23.247
LGA    T    30_B      T    30_B     0.676     0    0.133   0.242     2.721   79.643   78.231
LGA    F    31_B      F    31_B     0.958     0    0.008   0.118     1.444   88.214   85.541
LGA    S    32_B      S    32_B     0.343     0    0.114   0.103     0.650   95.238   95.238
LGA    N    33_B      N    33_B     0.299     0    0.070   1.033     2.282  100.000   91.190
LGA    Y    34_B      Y    34_B     0.798     0    0.019   0.128     0.945   90.476   90.476
LGA    V    35_B      V    35_B     0.809     0    0.031   0.914     2.387   90.476   84.286
LGA    M    36_B      M    36_B     0.864     0    0.018   0.272     1.007   90.476   89.345
LGA    A    37_B      A    37_B     0.705     0    0.014   0.022     0.890   90.476   90.476
LGA    W    38_B      W    38_B     0.401     0    0.000   0.091     0.559  100.000   99.320
LGA    F    39_B      F    39_B     0.436     0    0.025   0.064     0.701  100.000   94.805
LGA    R    40_B      R    40_B     0.371     0    0.009   0.169     1.085  100.000   96.580
LGA    Q    41_B      Q    41_B     0.548     0    0.015   0.366     1.661   92.857   91.693
LGA    A    42_B      A    42_B     0.637     0    0.000   0.014     0.669   90.476   90.476
LGA    P    43_B      P    43_B     0.798     0    0.086   0.372     1.419   90.476   89.184
LGA    G    44_B      G    44_B     1.394     0    0.085   0.085     1.394   81.429   81.429
LGA    K    45_B      K    45_B     1.021     0    0.097   0.840     3.312   88.333   78.519
LGA    E    46_B      E    46_B     0.730     0    0.068   0.831     2.540   90.476   82.804
LGA    R    47_B      R    47_B     0.744     0    0.014   0.741     1.981   90.476   84.762
LGA    E    48_B      E    48_B     0.521     0    0.028   0.445     1.183   95.238   91.640
LGA    F    49_B      F    49_B     0.437     0    0.025   0.133     0.573  100.000   95.671
LGA    V    50_B      V    50_B     0.355     0    0.014   0.037     0.434  100.000  100.000
LGA    A    51_B      A    51_B     0.409     0    0.034   0.046     0.423  100.000  100.000
LGA    R    52_B      R    52_B     0.507     0    0.032   0.459     1.611   95.238   90.606
LGA    I    53_B      I    53_B     0.461     0    0.042   0.204     0.913  100.000   96.429
LGA    S    54_B      S    54_B     0.305     0    0.019   0.186     1.106   95.238   93.730
LGA    E    55_B      E    55_B     0.635     0    0.448   1.073     3.613   78.333   72.963
LGA    S    56_B      S    56_B     2.387     0    0.316   0.305     3.656   72.976   63.095
LGA    R    57_B      R    57_B     0.723     0    0.039   0.683     5.243   88.214   69.740
LGA    G    58_B      G    58_B     0.856     0    0.019   0.019     0.875   90.476   90.476
LGA    T    59_B      T    59_B     0.521     0    0.116   0.247     1.047   88.214   91.905
LGA    T    60_B      T    60_B     0.422     0    0.048   0.219     0.862   97.619   97.279
LGA    D    61_B      D    61_B     0.481     0    0.025   0.160     1.073  100.000   94.107
LGA    Y    62_B      Y    62_B     0.414     0    0.012   0.050     0.629  100.000   94.444
LGA    A    63_B      A    63_B     0.455     0    0.020   0.022     0.543   95.238   96.190
LGA    D    64_B      D    64_B     0.580     0    0.082   0.333     1.463   92.857   90.536
LGA    S    65_B      S    65_B     0.801     0    0.019   0.047     0.922   90.476   90.476
LGA    V    66_B      V    66_B     0.764     0    0.024   0.121     0.875   90.476   90.476
LGA    K    67_B      K    67_B     0.912     0    0.012   0.757     3.238   90.476   79.471
LGA    G    68_B      G    68_B     0.707     0    0.106   0.106     0.957   90.476   90.476
LGA    R    69_B      R    69_B     0.275     0    0.026   0.053     0.624  100.000   98.268
LGA    F    70_B      F    70_B     0.206     0    0.016   0.111     0.384  100.000  100.000
LGA    T    71_B      T    71_B     0.187     0    0.027   0.132     0.594  100.000   98.639
LGA    I    72_B      I    72_B     0.339     0    0.033   0.148     0.572  100.000   98.810
LGA    S    73_B      S    73_B     0.278     0    0.025   0.089     0.476  100.000  100.000
LGA    R    74_B      R    74_B     0.357     0    0.053   0.749     2.739  100.000   92.641
LGA    D    75_B      D    75_B     0.291     0    0.008   0.631     1.559   97.619   93.095
LGA    N    76_B      N    76_B     0.404     0    0.137   0.145     0.843   97.619   95.238
LGA    A    77_B      A    77_B     0.520     0    0.008   0.011     0.674   95.238   94.286
LGA    K    78_B      K    78_B     0.843     0    0.024   0.838     1.632   90.476   82.593
LGA    N    79_B      N    79_B     0.448     0    0.032   0.412     1.338   95.238   94.107
LGA    T    80_B      T    80_B     0.652     0    0.081   1.251     2.848   90.476   80.952
LGA    I    81_B      I    81_B     0.733     0    0.022   0.368     1.332   95.238   90.595
LGA    Y    82_B      Y    82_B     0.335     0    0.034   0.056     0.617  100.000   97.619
LGA    L    83_B      L    83_B     0.267     0    0.016   0.138     0.432  100.000  100.000
LGA    Q    84_B      Q    84_B     0.289     0    0.020   0.124     1.048  100.000   94.762
LGA    M    85_B      M    85_B     0.243     0    0.087   0.693     1.976   97.619   93.095
LGA    N    86_B      N    86_B     0.274     0    0.000   0.214     0.791  100.000   98.810
LGA    S    87_B      S    87_B     0.503     0    0.000   0.195     1.049   97.619   93.730
LGA    L    88_B      L    88_B     0.394     0    0.080   0.119     0.577   97.619   98.810
LGA    N    89_B      N    89_B     0.713     0    0.007   0.267     0.985   90.476   90.476
LGA    P    90_B      P    90_B     0.773     0    0.046   0.054     0.945   90.476   90.476
LGA    G    91_B      G    91_B     0.672     0    0.011   0.011     0.745   90.476   90.476
LGA    D    92_B      D    92_B     0.481     0    0.000   0.174     0.590   95.238   95.238
LGA    T    93_B      T    93_B     0.548     0    0.018   0.069     0.726   90.476   91.837
LGA    A    94_B      A    94_B     0.524     0    0.047   0.069     0.573   95.238   94.286
LGA    V    95_B      V    95_B     0.310     0    0.016   0.109     0.495  100.000  100.000
LGA    Y    96_B      Y    96_B     0.022     0    0.062   0.074     0.347  100.000  100.000
LGA    S    97_B      S    97_B     0.242     0    0.016   0.045     0.455  100.000  100.000
LGA    C    98_B      C    98_B     0.534     0    0.014   0.049     0.723   92.857   92.063
LGA    A    99_B      A    99_B     0.664     0    0.012   0.027     0.933   90.476   90.476
LGA    A   100_B      A   100_B     0.996     0    0.011   0.025     1.245   85.952   85.048
LGA    T   101_B      T   101_B     1.493     0    0.076   1.207     3.792   73.214   67.687
LGA    L   102_B      L   102_B     2.292     0    0.048   0.143     5.709   66.786   51.131
LGA    P   103_B      P   103_B     4.944     0    0.673   0.608     6.428   34.524   28.367
LGA    A   104_B      A   104_B     5.081     0    0.051   0.064     6.870   23.452   21.429
LGA    W   105_B      W   105_B     9.334     0    0.065   0.976    12.389    3.214    1.156
LGA    T   106_B      T   106_B     9.017     0    0.138   0.153     9.868    3.452    3.673
LGA    G   107_B      G   107_B     5.534     0    0.664   0.664     6.438   25.476   25.476
LGA    I   108_B      I   108_B     7.364     0    0.592   0.648    12.155    8.333    4.226
LGA    I   109_B      I   109_B     7.229     0    0.123   1.076     9.536   10.952    7.679
LGA    G   110_B      G   110_B     5.141     0    0.408   0.408     5.420   36.667   36.667
LGA    G   111_B      G   111_B     1.211     0    0.660   0.660     1.347   85.952   85.952
LGA    R   112_B      R   112_B     0.700     0    0.023   0.419     1.350   92.857   87.229
LGA    R   113_B      R   113_B     0.857     0    0.023   0.114     2.386   90.476   78.615
LGA    P   114_B      P   114_B     0.953     0    0.058   0.353     1.313   85.952   87.959
LGA    G   115_B      G   115_B     1.436     0    0.027   0.027     1.490   81.429   81.429
LGA    N   116_B      N   116_B     0.984     0    0.058   0.156     1.758   88.214   84.881
LGA    Y   117_B      Y   117_B     0.704     0    0.012   0.110     0.994   90.476   90.476
LGA    P   118_B      P   118_B     0.940     0    0.020   0.036     0.976   90.476   90.476
LGA    Y   119_B      Y   119_B     0.824     0    0.023   0.087     0.875   90.476   90.476
LGA    W   120_B      W   120_B     0.740     0    0.078   0.164     1.090   88.214   88.537
LGA    G   121_B      G   121_B     0.653     0    0.009   0.009     0.913   90.476   90.476
LGA    Q   122_B      Q   122_B     0.988     0    0.010   1.607     8.064   90.476   58.466
LGA    G   123_B      G   123_B     0.727     0    0.123   0.123     0.965   90.476   90.476
LGA    T   124_B      T   124_B     0.352     0    0.031   0.122     0.477  100.000  100.000
LGA    Q   125_B      Q   125_B     0.397     0    0.052   0.120     0.545  100.000   97.884
LGA    V   126_B      V   126_B     0.435     0    0.038   0.113     0.540   97.619   98.639
LGA    T   127_B      T   127_B     0.716     0    0.035   0.068     1.076   90.476   89.184
LGA    V   128_B      V   128_B     0.619     0    0.024   0.091     0.737   90.476   90.476
LGA    S   129_B      S   129_B     0.622     0    0.124   0.667     2.452   85.952   83.175

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.903          1.905                  2.450           87.359   84.163

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.36    94.400    96.232     8.294

LGA_LOCAL      RMSD:   1.359  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.918  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.903  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.530904 * X  +  -0.563223 * Y  +  -0.633183 * Z  + 127.547943
  Y_new =  -0.776689 * X  +   0.622257 * Y  +   0.097724 * Z  +   4.268803
  Z_new =   0.338963 * X  +   0.543669 * Y  +  -0.767808 * Z  + -20.381519 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.170395 -0.345814  2.525465   [DEG: -124.3545  -19.8137  144.6985 ]
ZXZ: -1.723926  2.446208  0.557500   [DEG:  -98.7737  140.1574   31.9424 ]
 
# END of job
