
#######################################################
#                                                     #
#                        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       1.60     1.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.60     1.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       5_B - 102_B       0.92     1.69
  LCS_AVERAGE:     64.60

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     98  125  125     73  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     98  125  125     44  102  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     98  125  125     64  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     98  125  125     71  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     98  125  125     21  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     98  125  125      5  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     98  125  125      3    5  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     98  125  125      3   15  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     98  125  125     14  101  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     98  125  125     29  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     98  125  125     39  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     98  125  125     68  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     98  125  125     45  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     98  125  125     45  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     98  125  125     61  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     98  125  125     17   84  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     98  125  125      3   30   65  113  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     98  125  125      3    4    4    5   31   65  114  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     98  125  125      3    3   31  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     98  125  125     71  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     98  125  125     70  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     98  125  125     71  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     98  125  125     12  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     98  125  125     70  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     98  125  125     69  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     98  125  125     69  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     98  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     98  125  125     12  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     98  125  125      4   74  107  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     46  125  125      4    5    7   17   30   72  115  120  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      5  125  125      3    5   15   24   52  101  118  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    5    7    9   19   29   37   80  107  122  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    4    5   11   21   32   59   99  120  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      4    4   14   41  105  117  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B     12  125  125      4    4   19   67  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B     12  125  125      3    4   11   26   83  117  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B     20  125  125      3   52   92  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     20  125  125     45  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     20  125  125     66  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     20  125  125     66  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     20  125  125     52  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     20  125  125     31  100  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     20  125  125     31  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     20  125  125     52  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     20  125  125     31  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     20  125  125     70  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     20  125  125     74  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     20  125  125     70  103  112  114  116  118  120  121  122  124  125  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.20  (  64.60  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     74    103    112    114    116    118    120    121    122    124    125    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  59.20  82.40  89.60  91.20  92.80  94.40  96.00  96.80  97.60  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.60   0.66   0.73   0.85   1.03   1.12   1.26   1.46   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60
GDT RMS_ALL_AT   1.82   1.73   1.69   1.69   1.68   1.66   1.64   1.63   1.62   1.61   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60

# Checking swapping
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    48_B      E    48_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   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.411     0    0.683   1.143     8.717   91.190   52.169
LGA    L     6_B      L     6_B     0.086     0    0.035   0.204     0.986  100.000   98.810
LGA    V     7_B      V     7_B     0.248     0    0.040   1.331     3.067  100.000   87.823
LGA    E     8_B      E     8_B     0.461     0    0.045   0.636     1.801  100.000   91.746
LGA    S     9_B      S     9_B     0.444     0    0.063   0.501     1.778  100.000   95.476
LGA    G    10_B      G    10_B     0.626     0    0.692   0.692     3.097   82.738   82.738
LGA    G    11_B      G    11_B     1.120     0    0.042   0.042     1.415   85.952   85.952
LGA    G    12_B      G    12_B     0.914     0    0.013   0.013     0.914   90.476   90.476
LGA    L    13_B      L    13_B     0.933     0    0.079   0.268     1.847   88.214   86.012
LGA    V    14_B      V    14_B     0.585     0    0.095   1.185     2.878   95.238   84.762
LGA    Q    15_B      Q    15_B     0.684     0    0.078   1.214     3.677   90.476   80.423
LGA    A    16_B      A    16_B     0.682     0    0.084   0.087     0.912   90.476   90.476
LGA    G    17_B      G    17_B     0.708     0    0.099   0.099     0.708   92.857   92.857
LGA    G    18_B      G    18_B     0.682     0    0.094   0.094     1.150   88.214   88.214
LGA    S    19_B      S    19_B     0.695     0    0.042   0.743     1.860   90.476   87.540
LGA    L    20_B      L    20_B     0.491     0    0.028   1.107     2.397   92.857   84.107
LGA    G    21_B      G    21_B     0.742     0    0.083   0.083     0.742   90.476   90.476
LGA    L    22_B      L    22_B     0.500     0    0.063   0.089     0.637   90.476   94.048
LGA    S    23_B      S    23_B     0.503     0    0.027   0.734     2.222   90.476   86.190
LGA    C    24_B      C    24_B     0.589     0    0.046   0.072     0.717   92.857   92.063
LGA    A    25_B      A    25_B     0.289     0    0.058   0.089     0.328  100.000  100.000
LGA    A    26_B      A    26_B     0.292     0    0.038   0.040     0.395  100.000  100.000
LGA    S    27_B      S    27_B     0.378     0    0.225   0.586     2.846   95.357   89.762
LGA    G    28_B      G    28_B     1.054     0    0.262   0.262     3.350   71.429   71.429
LGA    R    29_B      R    29_B     0.877     0    0.255   1.392     5.550   88.214   67.143
LGA    T    30_B      T    30_B     1.578     0    0.599   1.179     4.362   77.143   62.857
LGA    F    31_B      F    31_B     1.249     0    0.026   0.085     1.617   83.810   86.450
LGA    S    32_B      S    32_B     1.283     0    0.032   0.136     1.761   79.286   77.143
LGA    N    33_B      N    33_B     1.085     0    0.234   1.152     3.602   83.690   74.643
LGA    Y    34_B      Y    34_B     0.575     0    0.051   0.473     1.554   95.238   90.675
LGA    V    35_B      V    35_B     0.205     0    0.071   1.260     2.638  100.000   87.755
LGA    M    36_B      M    36_B     0.728     0    0.089   0.158     0.975   92.857   92.857
LGA    A    37_B      A    37_B     0.786     0    0.019   0.027     0.835   90.476   90.476
LGA    W    38_B      W    38_B     0.642     0    0.024   0.120     1.138   92.857   91.224
LGA    F    39_B      F    39_B     0.499     0    0.027   0.079     0.707   97.619   93.074
LGA    R    40_B      R    40_B     0.344     0    0.005   0.159     0.803   97.619   96.537
LGA    Q    41_B      Q    41_B     0.440     0    0.064   0.531     2.510  100.000   86.085
LGA    A    42_B      A    42_B     0.548     0    0.055   0.058     0.772   95.238   94.286
LGA    P    43_B      P    43_B     0.337     0    0.135   0.360     1.367  100.000   94.626
LGA    G    44_B      G    44_B     0.560     0    0.084   0.084     0.826   90.476   90.476
LGA    K    45_B      K    45_B     0.808     0    0.071   0.857     3.669   92.857   82.593
LGA    E    46_B      E    46_B     1.008     0    0.051   0.770     2.408   88.214   82.804
LGA    R    47_B      R    47_B     1.007     0    0.119   1.178     4.511   85.952   74.156
LGA    E    48_B      E    48_B     0.569     0    0.022   0.642     2.066   95.238   87.725
LGA    F    49_B      F    49_B     0.413     0    0.044   0.175     0.801  100.000   93.939
LGA    V    50_B      V    50_B     0.300     0    0.044   0.092     0.490  100.000  100.000
LGA    A    51_B      A    51_B     0.738     0    0.012   0.040     0.776   92.857   92.381
LGA    R    52_B      R    52_B     0.745     0    0.079   0.836     4.242   90.476   76.061
LGA    I    53_B      I    53_B     0.864     0    0.034   0.180     1.225   90.476   89.345
LGA    S    54_B      S    54_B     0.553     0    0.041   0.150     0.911   95.238   95.238
LGA    E    55_B      E    55_B     1.610     0    0.147   1.536     8.358   67.262   42.751
LGA    S    56_B      S    56_B     3.028     0    0.276   0.706     4.922   53.690   48.254
LGA    R    57_B      R    57_B     4.904     0    0.130   1.275    15.847   43.929   17.143
LGA    G    58_B      G    58_B     2.394     0    0.276   0.276     3.184   65.238   65.238
LGA    T    59_B      T    59_B     1.086     0    0.067   1.322     3.636   88.214   77.483
LGA    T    60_B      T    60_B     0.727     0    0.045   1.258     2.810   92.857   82.313
LGA    D    61_B      D    61_B     0.579     0    0.023   0.253     0.879   90.476   90.476
LGA    Y    62_B      Y    62_B     0.502     0    0.048   0.092     0.678   95.238   92.063
LGA    A    63_B      A    63_B     0.497     0    0.043   0.048     0.595   95.238   96.190
LGA    D    64_B      D    64_B     0.879     0    0.110   0.395     2.338   90.476   83.869
LGA    S    65_B      S    65_B     0.781     0    0.111   0.574     2.379   88.214   84.683
LGA    V    66_B      V    66_B     0.840     0    0.082   0.206     1.230   90.476   90.544
LGA    K    67_B      K    67_B     0.809     0    0.023   1.039     5.799   90.476   68.254
LGA    G    68_B      G    68_B     0.764     0    0.058   0.058     0.893   90.476   90.476
LGA    R    69_B      R    69_B     0.422     0    0.028   0.534     1.574  100.000   94.069
LGA    F    70_B      F    70_B     0.414     0    0.013   0.197     1.055  100.000   94.848
LGA    T    71_B      T    71_B     0.477     0    0.060   1.137     2.409   95.238   85.850
LGA    I    72_B      I    72_B     0.507     0    0.042   0.204     0.660   95.238   94.048
LGA    S    73_B      S    73_B     0.276     0    0.034   0.086     0.439  100.000  100.000
LGA    R    74_B      R    74_B     0.127     0    0.034   0.339     1.222  100.000   95.758
LGA    D    75_B      D    75_B     0.173     0    0.021   0.592     1.742  100.000   94.286
LGA    N    76_B      N    76_B     0.401     0    0.154   0.223     1.328   97.619   94.107
LGA    A    77_B      A    77_B     0.467     0    0.020   0.034     0.693   95.238   94.286
LGA    K    78_B      K    78_B     1.050     0    0.138   1.412     4.606   88.214   76.138
LGA    N    79_B      N    79_B     0.191     0    0.051   1.076     2.558   97.619   88.869
LGA    T    80_B      T    80_B     0.279     0    0.023   0.283     0.991  100.000   98.639
LGA    I    81_B      I    81_B     0.621     0    0.046   0.307     1.388   90.476   90.536
LGA    Y    82_B      Y    82_B     0.523     0    0.047   0.097     0.621   92.857   94.444
LGA    L    83_B      L    83_B     0.779     0    0.034   0.175     0.836   90.476   90.476
LGA    Q    84_B      Q    84_B     0.812     0    0.056   0.308     1.871   92.857   85.661
LGA    M    85_B      M    85_B     0.687     0    0.129   0.747     1.613   88.214   86.131
LGA    N    86_B      N    86_B     0.692     0    0.038   1.069     2.736   92.857   85.298
LGA    S    87_B      S    87_B     0.673     0    0.030   0.712     2.458   90.476   86.190
LGA    L    88_B      L    88_B     0.565     0    0.135   0.235     0.957   90.476   90.476
LGA    N    89_B      N    89_B     0.609     0    0.048   1.381     4.206   90.476   75.536
LGA    P    90_B      P    90_B     0.780     0    0.032   0.075     1.267   90.476   86.599
LGA    G    91_B      G    91_B     0.545     0    0.099   0.099     0.798   90.476   90.476
LGA    D    92_B      D    92_B     0.260     0    0.055   0.230     0.717  100.000   98.810
LGA    T    93_B      T    93_B     0.480     0    0.064   0.805     2.030  100.000   90.952
LGA    A    94_B      A    94_B     0.368     0    0.020   0.034     0.401  100.000  100.000
LGA    V    95_B      V    95_B     0.165     0    0.057   0.165     0.390  100.000  100.000
LGA    Y    96_B      Y    96_B     0.191     0    0.010   0.074     0.507  100.000   99.206
LGA    S    97_B      S    97_B     0.549     0    0.045   0.049     0.739   97.619   95.238
LGA    C    98_B      C    98_B     0.493     0    0.047   0.683     2.100   97.619   90.952
LGA    A    99_B      A    99_B     0.343     0    0.017   0.035     0.552   97.619   96.190
LGA    A   100_B      A   100_B     0.231     0    0.064   0.067     0.541   97.619   98.095
LGA    T   101_B      T   101_B     0.555     0    0.067   0.944     3.246   88.452   79.728
LGA    L   102_B      L   102_B     2.600     0    0.070   1.063     4.920   65.119   52.917
LGA    P   103_B      P   103_B     5.521     0    0.648   0.575     7.234   29.048   22.517
LGA    A   104_B      A   104_B     6.016     0    0.443   0.420     7.266   17.976   19.619
LGA    W   105_B      W   105_B     7.889     0    0.567   1.496    10.760    4.286    6.769
LGA    T   106_B      T   106_B     7.250     0    0.713   0.950     7.875   12.619   11.088
LGA    G   107_B      G   107_B     4.586     0    0.177   0.177     5.330   36.071   36.071
LGA    I   108_B      I   108_B     3.158     0    0.580   0.851     5.211   43.452   39.821
LGA    I   109_B      I   109_B     4.419     0    0.213   1.373     8.722   38.690   26.548
LGA    G   110_B      G   110_B     2.236     0    0.227   0.227     2.741   67.024   67.024
LGA    G   111_B      G   111_B     0.677     0    0.184   0.184     0.850   90.476   90.476
LGA    R   112_B      R   112_B     0.310     0    0.079   0.933     8.686   97.619   60.216
LGA    R   113_B      R   113_B     0.278     0    0.063   1.504     5.252  100.000   80.866
LGA    P   114_B      P   114_B     0.851     0    0.025   0.369     1.247   90.476   89.184
LGA    G   115_B      G   115_B     1.186     0    0.120   0.120     1.186   85.952   85.952
LGA    N   116_B      N   116_B     0.876     0    0.096   1.117     4.849   90.476   73.631
LGA    Y   117_B      Y   117_B     0.569     0    0.088   0.118     1.188   88.214   95.278
LGA    P   118_B      P   118_B     1.092     0    0.065   0.364     1.451   88.214   86.599
LGA    Y   119_B      Y   119_B     0.191     0    0.072   0.337     0.969  100.000   96.825
LGA    W   120_B      W   120_B     0.356     0    0.032   0.247     1.250   97.619   91.258
LGA    G   121_B      G   121_B     0.361     0    0.055   0.055     0.528   97.619   97.619
LGA    Q   122_B      Q   122_B     0.466     0    0.065   1.520     7.042   97.619   68.360
LGA    G   123_B      G   123_B     0.310     0    0.084   0.084     0.467  100.000  100.000
LGA    T   124_B      T   124_B     0.331     0    0.042   0.227     0.806  100.000   98.639
LGA    Q   125_B      Q   125_B     0.269     0    0.014   0.161     0.876  100.000   97.884
LGA    V   126_B      V   126_B     0.429     0    0.056   0.163     0.886  100.000   98.639
LGA    T   127_B      T   127_B     0.570     0    0.054   0.901     2.548   90.476   82.041
LGA    V   128_B      V   128_B     0.533     0    0.099   0.119     0.685   95.238   93.197
LGA    S   129_B      S   129_B     0.725     0    0.215   0.262     1.914   83.810   81.587

# 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):     1.604          1.611                  2.364           88.037   82.851

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.12    92.600    95.853     9.914

LGA_LOCAL      RMSD:   1.120  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.633  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.604  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.897110 * X  +  -0.432843 * Y  +  -0.088542 * Z  + 110.116920
  Y_new =   0.435867 * X  +  -0.834344 * Y  +  -0.337475 * Z  + -28.768309
  Z_new =   0.072200 * X  +  -0.341345 * Y  +   0.937161 * Z  +   2.203769 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.689323 -0.072263 -0.349298   [DEG:  154.0869   -4.1403  -20.0133 ]
ZXZ: -0.256582  0.356394  2.933149   [DEG:  -14.7010   20.4199  168.0571 ]
 
# END of job
